Calcium in PDB 5f2q: C-Type Lectin From Bothrops Jararacussu
Protein crystallography data
The structure of C-Type Lectin From Bothrops Jararacussu, PDB code: 5f2q
was solved by
R.A.P.De Padua,
M.P.Pinheiro,
M.A.Sartim,
S.V.Sampaio,
M.C.Nonato,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
42.42 /
2.95
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
91.250,
115.150,
156.790,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.5 /
26.5
|
Other elements in 5f2q:
The structure of C-Type Lectin From Bothrops Jararacussu also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the C-Type Lectin From Bothrops Jararacussu
(pdb code 5f2q). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the
C-Type Lectin From Bothrops Jararacussu, PDB code: 5f2q:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 10 in 5f2q
Go back to
Calcium Binding Sites List in 5f2q
Calcium binding site 1 out
of 10 in the C-Type Lectin From Bothrops Jararacussu
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of C-Type Lectin From Bothrops Jararacussu within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca201
b:49.8
occ:1.00
|
OD1
|
A:ASP120
|
2.3
|
53.5
|
1.0
|
OD1
|
A:ASN119
|
2.4
|
50.0
|
1.0
|
O
|
A:HOH301
|
2.4
|
51.8
|
1.0
|
O
|
A:ASP120
|
2.4
|
54.3
|
1.0
|
OE1
|
A:GLU104
|
2.4
|
54.1
|
1.0
|
OE1
|
A:GLN96
|
2.5
|
55.5
|
1.0
|
OD1
|
A:ASP98
|
2.5
|
58.7
|
1.0
|
H1
|
A:HOH301
|
2.8
|
62.1
|
1.0
|
O
|
A:HOH302
|
3.0
|
43.7
|
1.0
|
H2
|
A:HOH301
|
3.0
|
62.1
|
1.0
|
CG
|
A:ASP120
|
3.1
|
54.7
|
1.0
|
H1
|
A:HOH302
|
3.2
|
52.5
|
1.0
|
H
|
A:ASP120
|
3.3
|
59.3
|
1.0
|
CG
|
A:ASN119
|
3.3
|
53.0
|
1.0
|
HD21
|
A:ASN119
|
3.3
|
62.5
|
1.0
|
CG
|
A:ASP98
|
3.4
|
58.1
|
1.0
|
CD
|
A:GLU104
|
3.4
|
55.0
|
1.0
|
C
|
A:ASP120
|
3.5
|
53.3
|
1.0
|
CD
|
A:GLN96
|
3.6
|
58.5
|
1.0
|
OD2
|
A:ASP98
|
3.6
|
60.0
|
1.0
|
OD2
|
A:ASP120
|
3.7
|
58.8
|
1.0
|
H2
|
A:HOH302
|
3.7
|
52.5
|
1.0
|
ND2
|
A:ASN119
|
3.7
|
52.1
|
1.0
|
N
|
A:ASP120
|
3.7
|
49.4
|
1.0
|
H
|
A:ASP98
|
3.7
|
68.9
|
1.0
|
OE2
|
A:GLU104
|
3.8
|
57.8
|
1.0
|
CA
|
A:ASP120
|
4.0
|
50.3
|
1.0
|
HE22
|
A:GLN96
|
4.0
|
75.6
|
1.0
|
H
|
A:TYR100
|
4.1
|
72.3
|
1.0
|
CB
|
A:ASP120
|
4.1
|
52.1
|
1.0
|
NE2
|
A:GLN96
|
4.2
|
63.0
|
1.0
|
H
|
A:HIS99
|
4.3
|
73.3
|
1.0
|
HB2
|
A:TYR100
|
4.3
|
72.1
|
1.0
|
HB3
|
A:GLU104
|
4.4
|
71.1
|
1.0
|
N
|
A:ASP98
|
4.5
|
57.5
|
1.0
|
HD22
|
A:ASN119
|
4.5
|
62.5
|
1.0
|
HA
|
A:GLN121
|
4.6
|
63.3
|
1.0
|
HA
|
A:ASN119
|
4.6
|
59.9
|
1.0
|
HA
|
A:PRO97
|
4.6
|
69.3
|
1.0
|
C
|
A:ASN119
|
4.6
|
47.8
|
1.0
|
HB2
|
A:GLU104
|
4.6
|
71.1
|
1.0
|
CB
|
A:ASN119
|
4.7
|
53.7
|
1.0
|
HB2
|
A:ASP120
|
4.7
|
62.5
|
1.0
|
N
|
A:GLN121
|
4.7
|
54.9
|
1.0
|
CG
|
A:GLU104
|
4.7
|
56.4
|
1.0
|
HB3
|
A:GLN96
|
4.7
|
58.3
|
1.0
|
HG3
|
A:GLN96
|
4.7
|
64.3
|
1.0
|
CG
|
A:GLN96
|
4.7
|
53.6
|
1.0
|
CB
|
A:ASP98
|
4.7
|
56.9
|
1.0
|
HB3
|
A:ASP120
|
4.8
|
62.5
|
1.0
|
N
|
A:HIS99
|
4.8
|
61.1
|
1.0
|
CB
|
A:GLU104
|
4.8
|
59.3
|
1.0
|
HB3
|
A:TYR100
|
4.8
|
72.1
|
1.0
|
CA
|
A:ASN119
|
4.9
|
49.9
|
1.0
|
N
|
A:TYR100
|
4.9
|
60.2
|
1.0
|
HA
|
A:ASP120
|
4.9
|
60.4
|
1.0
|
|
Calcium binding site 2 out
of 10 in 5f2q
Go back to
Calcium Binding Sites List in 5f2q
Calcium binding site 2 out
of 10 in the C-Type Lectin From Bothrops Jararacussu
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of C-Type Lectin From Bothrops Jararacussu within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca201
b:45.3
occ:1.00
|
OD1
|
B:ASP120
|
2.3
|
46.9
|
1.0
|
OE1
|
B:GLU104
|
2.3
|
51.9
|
1.0
|
O
|
B:HOH301
|
2.3
|
39.6
|
1.0
|
OD1
|
B:ASN119
|
2.4
|
47.1
|
1.0
|
OD1
|
B:ASP98
|
2.4
|
48.7
|
1.0
|
OE1
|
B:GLN96
|
2.5
|
51.8
|
1.0
|
O
|
B:ASP120
|
2.5
|
46.1
|
1.0
|
H1
|
B:HOH301
|
2.8
|
47.5
|
1.0
|
H2
|
B:HOH301
|
2.9
|
47.5
|
1.0
|
H1
|
B:HOH302
|
2.9
|
59.8
|
1.0
|
O
|
B:HOH302
|
3.2
|
49.9
|
1.0
|
CD
|
B:GLU104
|
3.2
|
54.0
|
1.0
|
CD
|
B:GLN96
|
3.3
|
46.7
|
1.0
|
CG
|
B:ASP120
|
3.3
|
49.5
|
1.0
|
CG
|
B:ASP98
|
3.4
|
48.8
|
1.0
|
H2
|
B:HOH302
|
3.4
|
59.8
|
1.0
|
OE2
|
B:GLU104
|
3.4
|
55.2
|
1.0
|
CG
|
B:ASN119
|
3.4
|
44.7
|
1.0
|
H
|
B:ASP120
|
3.5
|
52.9
|
1.0
|
HE22
|
B:GLN96
|
3.5
|
53.4
|
1.0
|
HD21
|
B:ASN119
|
3.5
|
53.1
|
1.0
|
C
|
B:ASP120
|
3.6
|
46.6
|
1.0
|
H
|
B:ASP98
|
3.7
|
60.0
|
1.0
|
NE2
|
B:GLN96
|
3.7
|
44.5
|
1.0
|
OD2
|
B:ASP98
|
3.7
|
44.6
|
1.0
|
N
|
B:ASP120
|
3.8
|
44.0
|
1.0
|
ND2
|
B:ASN119
|
3.8
|
44.2
|
1.0
|
OD2
|
B:ASP120
|
4.0
|
47.8
|
1.0
|
HB2
|
B:TYR100
|
4.1
|
63.3
|
1.0
|
CA
|
B:ASP120
|
4.1
|
43.3
|
1.0
|
HB3
|
B:GLN96
|
4.1
|
57.2
|
1.0
|
H
|
B:TYR100
|
4.2
|
64.7
|
1.0
|
CB
|
B:ASP120
|
4.3
|
46.0
|
1.0
|
CG
|
B:GLN96
|
4.5
|
47.9
|
1.0
|
HE21
|
B:GLN96
|
4.5
|
53.4
|
1.0
|
N
|
B:ASP98
|
4.5
|
50.0
|
1.0
|
HB3
|
B:GLU104
|
4.5
|
59.2
|
1.0
|
HB3
|
B:TYR100
|
4.5
|
63.3
|
1.0
|
HA
|
B:ASN119
|
4.6
|
53.0
|
1.0
|
HG3
|
B:GLN96
|
4.6
|
57.4
|
1.0
|
HA
|
B:PRO97
|
4.6
|
57.4
|
1.0
|
CG
|
B:GLU104
|
4.6
|
51.2
|
1.0
|
C
|
B:ASN119
|
4.6
|
42.2
|
1.0
|
HA
|
B:GLN121
|
4.6
|
51.0
|
1.0
|
HD22
|
B:ASN119
|
4.7
|
53.1
|
1.0
|
CB
|
B:ASN119
|
4.7
|
43.7
|
1.0
|
CB
|
B:ASP98
|
4.7
|
47.0
|
1.0
|
CB
|
B:TYR100
|
4.8
|
52.8
|
1.0
|
HB2
|
B:GLU104
|
4.8
|
59.2
|
1.0
|
N
|
B:GLN121
|
4.8
|
47.9
|
1.0
|
CB
|
B:GLN96
|
4.8
|
47.6
|
1.0
|
H
|
B:HIS99
|
4.8
|
56.8
|
1.0
|
HB2
|
B:ASP120
|
4.8
|
55.2
|
1.0
|
CA
|
B:ASN119
|
4.9
|
44.2
|
1.0
|
CB
|
B:GLU104
|
4.9
|
49.3
|
1.0
|
HB3
|
B:ASP98
|
5.0
|
56.4
|
1.0
|
HB3
|
B:ASP120
|
5.0
|
55.2
|
1.0
|
|
Calcium binding site 3 out
of 10 in 5f2q
Go back to
Calcium Binding Sites List in 5f2q
Calcium binding site 3 out
of 10 in the C-Type Lectin From Bothrops Jararacussu
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of C-Type Lectin From Bothrops Jararacussu within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca201
b:69.3
occ:1.00
|
OE1
|
C:GLU104
|
2.4
|
66.7
|
1.0
|
OD1
|
C:ASP120
|
2.4
|
66.8
|
1.0
|
OD1
|
C:ASN119
|
2.4
|
59.4
|
1.0
|
O
|
C:ASP120
|
2.4
|
64.4
|
1.0
|
OD1
|
C:ASP98
|
2.4
|
66.6
|
1.0
|
OE1
|
C:GLN96
|
2.5
|
65.5
|
1.0
|
HD21
|
C:ASN119
|
3.1
|
73.2
|
1.0
|
HE22
|
C:GLN96
|
3.2
|
79.2
|
1.0
|
CG
|
C:ASP98
|
3.3
|
65.2
|
1.0
|
CD
|
C:GLN96
|
3.3
|
67.1
|
1.0
|
CG
|
C:ASN119
|
3.3
|
63.0
|
1.0
|
CD
|
C:GLU104
|
3.3
|
68.3
|
1.0
|
OD2
|
C:ASP98
|
3.4
|
63.9
|
1.0
|
CG
|
C:ASP120
|
3.5
|
66.1
|
1.0
|
NE2
|
C:GLN96
|
3.5
|
66.0
|
1.0
|
ND2
|
C:ASN119
|
3.5
|
61.0
|
1.0
|
C
|
C:ASP120
|
3.6
|
65.5
|
1.0
|
OE2
|
C:GLU104
|
3.7
|
65.6
|
1.0
|
H
|
C:ASP120
|
3.7
|
77.9
|
1.0
|
H
|
C:ASP98
|
3.8
|
80.9
|
1.0
|
N
|
C:ASP120
|
4.0
|
64.9
|
1.0
|
OD2
|
C:ASP120
|
4.1
|
64.8
|
1.0
|
HB2
|
C:TYR100
|
4.2
|
85.3
|
1.0
|
H
|
C:TYR100
|
4.2
|
86.1
|
1.0
|
CA
|
C:ASP120
|
4.2
|
65.3
|
1.0
|
HA
|
C:GLN121
|
4.3
|
78.5
|
1.0
|
HE21
|
C:GLN96
|
4.3
|
79.2
|
1.0
|
HB3
|
C:GLU104
|
4.4
|
85.9
|
1.0
|
HD22
|
C:ASN119
|
4.4
|
73.2
|
1.0
|
CB
|
C:ASP120
|
4.4
|
65.8
|
1.0
|
N
|
C:ASP98
|
4.5
|
67.4
|
1.0
|
HB2
|
C:GLU104
|
4.5
|
85.9
|
1.0
|
HG2
|
C:GLN121
|
4.5
|
81.3
|
1.0
|
HA
|
C:PRO97
|
4.6
|
79.0
|
1.0
|
CG
|
C:GLN96
|
4.6
|
66.7
|
1.0
|
CG
|
C:GLU104
|
4.6
|
69.2
|
1.0
|
N
|
C:GLN121
|
4.6
|
62.0
|
1.0
|
CB
|
C:ASN119
|
4.7
|
66.8
|
1.0
|
CB
|
C:ASP98
|
4.7
|
65.8
|
1.0
|
HB3
|
C:GLN96
|
4.7
|
78.9
|
1.0
|
HA
|
C:ASN119
|
4.7
|
78.0
|
1.0
|
HG3
|
C:GLN96
|
4.7
|
80.1
|
1.0
|
CB
|
C:GLU104
|
4.7
|
71.6
|
1.0
|
C
|
C:ASN119
|
4.7
|
64.9
|
1.0
|
HB3
|
C:TYR100
|
4.7
|
85.3
|
1.0
|
H
|
C:HIS99
|
4.8
|
83.1
|
1.0
|
CA
|
C:GLN121
|
4.9
|
65.4
|
1.0
|
CB
|
C:TYR100
|
4.9
|
71.1
|
1.0
|
HB2
|
C:ASP120
|
4.9
|
79.0
|
1.0
|
CA
|
C:ASN119
|
5.0
|
65.0
|
1.0
|
|
Calcium binding site 4 out
of 10 in 5f2q
Go back to
Calcium Binding Sites List in 5f2q
Calcium binding site 4 out
of 10 in the C-Type Lectin From Bothrops Jararacussu
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of C-Type Lectin From Bothrops Jararacussu within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca201
b:58.4
occ:1.00
|
OD1
|
D:ASP120
|
2.3
|
59.3
|
1.0
|
H2
|
D:HOH301
|
2.3
|
64.4
|
1.0
|
OE2
|
D:GLU104
|
2.4
|
67.5
|
1.0
|
O
|
D:ASP120
|
2.4
|
59.5
|
1.0
|
O
|
D:HOH301
|
2.4
|
53.6
|
1.0
|
OE1
|
D:GLN96
|
2.5
|
59.0
|
1.0
|
OD1
|
D:ASP98
|
2.5
|
62.4
|
1.0
|
OD1
|
D:ASN119
|
2.5
|
61.8
|
1.0
|
H1
|
D:HOH301
|
2.7
|
64.4
|
1.0
|
CG
|
D:ASP120
|
3.2
|
60.3
|
1.0
|
CD
|
D:GLU104
|
3.2
|
65.5
|
1.0
|
CG
|
D:ASP98
|
3.4
|
62.4
|
1.0
|
H1
|
D:HOH302
|
3.4
|
72.5
|
1.0
|
OE1
|
D:GLU104
|
3.5
|
64.5
|
1.0
|
CD
|
D:GLN96
|
3.5
|
59.3
|
1.0
|
C
|
D:ASP120
|
3.5
|
59.9
|
1.0
|
H
|
D:ASP120
|
3.5
|
70.6
|
1.0
|
O
|
D:HOH302
|
3.5
|
60.5
|
1.0
|
CG
|
D:ASN119
|
3.5
|
58.0
|
1.0
|
HD21
|
D:ASN119
|
3.6
|
69.5
|
1.0
|
HE22
|
D:GLN96
|
3.6
|
70.7
|
1.0
|
H
|
D:ASP98
|
3.6
|
75.8
|
1.0
|
OD2
|
D:ASP98
|
3.7
|
64.6
|
1.0
|
OD2
|
D:ASP120
|
3.8
|
60.9
|
1.0
|
N
|
D:ASP120
|
3.8
|
58.8
|
1.0
|
NE2
|
D:GLN96
|
3.9
|
58.9
|
1.0
|
ND2
|
D:ASN119
|
3.9
|
57.9
|
1.0
|
CA
|
D:ASP120
|
4.0
|
58.9
|
1.0
|
HB2
|
D:TYR100
|
4.2
|
80.5
|
1.0
|
CB
|
D:ASP120
|
4.2
|
61.3
|
1.0
|
H
|
D:TYR100
|
4.2
|
77.0
|
1.0
|
HB3
|
D:GLU104
|
4.3
|
75.2
|
1.0
|
H2
|
D:HOH302
|
4.3
|
72.5
|
1.0
|
N
|
D:ASP98
|
4.4
|
63.2
|
1.0
|
HA
|
D:PRO97
|
4.4
|
71.5
|
1.0
|
HA
|
D:GLN121
|
4.5
|
74.3
|
1.0
|
CG
|
D:GLU104
|
4.5
|
61.9
|
1.0
|
HB2
|
D:GLU104
|
4.5
|
75.2
|
1.0
|
N
|
D:GLN121
|
4.6
|
60.5
|
1.0
|
C
|
D:ASN119
|
4.7
|
59.5
|
1.0
|
HB3
|
D:GLN96
|
4.7
|
68.4
|
1.0
|
CB
|
D:GLU104
|
4.7
|
62.7
|
1.0
|
HA
|
D:ASN119
|
4.7
|
70.3
|
1.0
|
CB
|
D:ASP98
|
4.7
|
61.6
|
1.0
|
HB2
|
D:ASP120
|
4.7
|
73.5
|
1.0
|
CG
|
D:GLN96
|
4.7
|
58.1
|
1.0
|
HE21
|
D:GLN96
|
4.8
|
70.7
|
1.0
|
HD22
|
D:ASN119
|
4.8
|
69.5
|
1.0
|
H
|
D:HIS99
|
4.8
|
72.7
|
1.0
|
CB
|
D:ASN119
|
4.8
|
58.8
|
1.0
|
HB3
|
D:ASP120
|
4.8
|
73.5
|
1.0
|
HG3
|
D:GLN96
|
4.9
|
69.7
|
1.0
|
HB3
|
D:TYR100
|
4.9
|
80.5
|
1.0
|
CB
|
D:TYR100
|
5.0
|
67.1
|
1.0
|
HA
|
D:ASP120
|
5.0
|
70.7
|
1.0
|
CA
|
D:ASP98
|
5.0
|
64.7
|
1.0
|
|
Calcium binding site 5 out
of 10 in 5f2q
Go back to
Calcium Binding Sites List in 5f2q
Calcium binding site 5 out
of 10 in the C-Type Lectin From Bothrops Jararacussu
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of C-Type Lectin From Bothrops Jararacussu within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca201
b:64.7
occ:1.00
|
OD1
|
E:ASP120
|
2.3
|
64.8
|
1.0
|
O
|
E:HOH305
|
2.4
|
53.0
|
1.0
|
OE2
|
E:GLU104
|
2.4
|
69.1
|
1.0
|
OE1
|
E:GLN96
|
2.4
|
61.2
|
1.0
|
OD1
|
E:ASN119
|
2.4
|
64.1
|
1.0
|
O
|
E:ASP120
|
2.5
|
62.1
|
1.0
|
H2
|
E:HOH305
|
2.5
|
63.6
|
1.0
|
OD1
|
E:ASP98
|
2.5
|
71.9
|
1.0
|
HE22
|
E:GLN96
|
2.9
|
76.4
|
1.0
|
CD
|
E:GLU104
|
3.1
|
69.4
|
1.0
|
CD
|
E:GLN96
|
3.1
|
62.7
|
1.0
|
OE1
|
E:GLU104
|
3.2
|
67.8
|
1.0
|
H1
|
E:HOH305
|
3.2
|
63.6
|
1.0
|
NE2
|
E:GLN96
|
3.3
|
63.7
|
1.0
|
CG
|
E:ASP98
|
3.4
|
69.1
|
1.0
|
CG
|
E:ASP120
|
3.4
|
64.8
|
1.0
|
CG
|
E:ASN119
|
3.5
|
66.2
|
1.0
|
HD21
|
E:ASN119
|
3.5
|
75.8
|
1.0
|
OD2
|
E:ASP98
|
3.6
|
68.9
|
1.0
|
C
|
E:ASP120
|
3.6
|
61.7
|
1.0
|
H
|
E:ASP120
|
3.7
|
67.5
|
1.0
|
ND2
|
E:ASN119
|
3.9
|
63.2
|
1.0
|
H
|
E:ASP98
|
4.0
|
79.1
|
1.0
|
N
|
E:ASP120
|
4.0
|
56.2
|
1.0
|
OD2
|
E:ASP120
|
4.1
|
65.2
|
1.0
|
HE21
|
E:GLN96
|
4.1
|
76.4
|
1.0
|
HB2
|
E:TYR100
|
4.1
|
86.3
|
1.0
|
CA
|
E:ASP120
|
4.2
|
60.5
|
1.0
|
H
|
E:TYR100
|
4.2
|
80.1
|
1.0
|
CB
|
E:ASP120
|
4.4
|
61.9
|
1.0
|
HA
|
E:GLN121
|
4.4
|
75.8
|
1.0
|
HB3
|
E:TYR100
|
4.5
|
86.3
|
1.0
|
CG
|
E:GLN96
|
4.5
|
64.4
|
1.0
|
CG
|
E:GLU104
|
4.5
|
67.2
|
1.0
|
HB3
|
E:GLU104
|
4.5
|
79.3
|
1.0
|
HB3
|
E:GLN96
|
4.6
|
75.0
|
1.0
|
N
|
E:ASP98
|
4.6
|
65.9
|
1.0
|
HA
|
E:PRO97
|
4.6
|
75.2
|
1.0
|
HG3
|
E:GLN96
|
4.7
|
77.2
|
1.0
|
N
|
E:GLN121
|
4.7
|
62.4
|
1.0
|
HB2
|
E:GLU104
|
4.7
|
79.3
|
1.0
|
CB
|
E:ASP98
|
4.8
|
63.9
|
1.0
|
HD22
|
E:ASN119
|
4.8
|
75.8
|
1.0
|
H
|
E:HIS99
|
4.8
|
80.7
|
1.0
|
CB
|
E:TYR100
|
4.8
|
71.9
|
1.0
|
CB
|
E:ASN119
|
4.8
|
63.9
|
1.0
|
HB2
|
E:ASP120
|
4.8
|
74.2
|
1.0
|
C
|
E:ASN119
|
4.8
|
57.0
|
1.0
|
CB
|
E:GLU104
|
4.9
|
66.1
|
1.0
|
HA
|
E:ASN119
|
4.9
|
69.9
|
1.0
|
HG2
|
E:GLU104
|
4.9
|
80.7
|
1.0
|
|
Calcium binding site 6 out
of 10 in 5f2q
Go back to
Calcium Binding Sites List in 5f2q
Calcium binding site 6 out
of 10 in the C-Type Lectin From Bothrops Jararacussu
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of C-Type Lectin From Bothrops Jararacussu within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca201
b:49.9
occ:1.00
|
OD1
|
F:ASP120
|
2.3
|
50.8
|
1.0
|
OD1
|
F:ASP98
|
2.3
|
52.3
|
1.0
|
OD1
|
F:ASN119
|
2.4
|
46.3
|
1.0
|
O
|
F:ASP120
|
2.4
|
49.0
|
1.0
|
OE1
|
F:GLN96
|
2.4
|
48.0
|
1.0
|
OE2
|
F:GLU104
|
2.5
|
46.2
|
1.0
|
O
|
F:HOH302
|
2.5
|
37.5
|
1.0
|
H2
|
F:HOH302
|
2.5
|
45.0
|
1.0
|
H1
|
F:HOH302
|
2.6
|
45.0
|
1.0
|
CG
|
F:ASP98
|
2.9
|
50.1
|
1.0
|
HD21
|
F:ASN119
|
3.0
|
53.0
|
1.0
|
OD2
|
F:ASP98
|
3.0
|
48.9
|
1.0
|
CG
|
F:ASN119
|
3.2
|
45.7
|
1.0
|
CD
|
F:GLU104
|
3.2
|
52.1
|
1.0
|
HE22
|
F:GLN96
|
3.3
|
59.0
|
1.0
|
CD
|
F:GLN96
|
3.3
|
47.8
|
1.0
|
CG
|
F:ASP120
|
3.4
|
50.1
|
1.0
|
OE1
|
F:GLU104
|
3.4
|
49.1
|
1.0
|
ND2
|
F:ASN119
|
3.4
|
44.2
|
1.0
|
H
|
F:ASP120
|
3.4
|
56.0
|
1.0
|
C
|
F:ASP120
|
3.5
|
47.0
|
1.0
|
H
|
F:ASP98
|
3.6
|
58.9
|
1.0
|
NE2
|
F:GLN96
|
3.6
|
49.1
|
1.0
|
N
|
F:ASP120
|
3.8
|
46.6
|
1.0
|
CA
|
F:ASP120
|
4.1
|
43.8
|
1.0
|
OD2
|
F:ASP120
|
4.2
|
46.6
|
1.0
|
HB2
|
F:TYR100
|
4.2
|
64.2
|
1.0
|
HD22
|
F:ASN119
|
4.2
|
53.0
|
1.0
|
H
|
F:TYR100
|
4.3
|
64.0
|
1.0
|
HB3
|
F:GLU104
|
4.3
|
64.3
|
1.0
|
CB
|
F:ASP98
|
4.3
|
48.1
|
1.0
|
N
|
F:ASP98
|
4.3
|
49.1
|
1.0
|
CB
|
F:ASP120
|
4.3
|
47.0
|
1.0
|
HE21
|
F:GLN96
|
4.4
|
59.0
|
1.0
|
HA
|
F:GLN121
|
4.4
|
58.9
|
1.0
|
CG
|
F:GLU104
|
4.5
|
52.8
|
1.0
|
CB
|
F:ASN119
|
4.6
|
46.4
|
1.0
|
HA
|
F:PRO97
|
4.6
|
59.3
|
1.0
|
HA
|
F:ASN119
|
4.6
|
56.9
|
1.0
|
CG
|
F:GLN96
|
4.6
|
47.7
|
1.0
|
HB2
|
F:GLU104
|
4.6
|
64.3
|
1.0
|
HG3
|
F:GLN96
|
4.6
|
57.2
|
1.0
|
HB3
|
F:ASP98
|
4.6
|
57.7
|
1.0
|
H
|
F:HIS99
|
4.6
|
63.0
|
1.0
|
C
|
F:ASN119
|
4.6
|
49.3
|
1.0
|
N
|
F:GLN121
|
4.6
|
50.2
|
1.0
|
HB3
|
F:TYR100
|
4.7
|
64.2
|
1.0
|
CB
|
F:GLU104
|
4.7
|
53.6
|
1.0
|
HB3
|
F:GLN96
|
4.8
|
55.5
|
1.0
|
CA
|
F:ASP98
|
4.8
|
51.4
|
1.0
|
CA
|
F:ASN119
|
4.8
|
47.4
|
1.0
|
HB2
|
F:ASP120
|
4.9
|
56.5
|
1.0
|
CB
|
F:TYR100
|
4.9
|
53.5
|
1.0
|
HB2
|
F:ASP98
|
5.0
|
57.7
|
1.0
|
HB2
|
F:ASN119
|
5.0
|
55.7
|
1.0
|
|
Calcium binding site 7 out
of 10 in 5f2q
Go back to
Calcium Binding Sites List in 5f2q
Calcium binding site 7 out
of 10 in the C-Type Lectin From Bothrops Jararacussu
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of C-Type Lectin From Bothrops Jararacussu within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Ca201
b:47.7
occ:1.00
|
H1
|
G:HOH302
|
2.3
|
40.0
|
1.0
|
OD1
|
G:ASP120
|
2.3
|
45.1
|
1.0
|
OE1
|
G:GLU104
|
2.4
|
52.2
|
1.0
|
OD1
|
G:ASP98
|
2.4
|
48.4
|
1.0
|
OD1
|
G:ASN119
|
2.4
|
41.2
|
1.0
|
OE1
|
G:GLN96
|
2.5
|
46.6
|
1.0
|
O
|
G:HOH302
|
2.5
|
33.4
|
1.0
|
HE22
|
G:GLN96
|
2.5
|
52.8
|
1.0
|
O
|
G:ASP120
|
2.6
|
47.0
|
1.0
|
NE2
|
G:GLN96
|
3.0
|
44.0
|
1.0
|
CD
|
G:GLN96
|
3.0
|
47.9
|
1.0
|
CG
|
G:ASP120
|
3.2
|
49.0
|
1.0
|
H2
|
G:HOH302
|
3.2
|
40.0
|
1.0
|
CG
|
G:ASP98
|
3.3
|
47.2
|
1.0
|
H
|
G:ASP120
|
3.4
|
59.1
|
1.0
|
HD21
|
G:ASN119
|
3.4
|
51.9
|
1.0
|
CG
|
G:ASN119
|
3.4
|
40.2
|
1.0
|
CD
|
G:GLU104
|
3.5
|
53.6
|
1.0
|
OD2
|
G:ASP98
|
3.5
|
45.9
|
1.0
|
H
|
G:ASP98
|
3.6
|
62.2
|
1.0
|
C
|
G:ASP120
|
3.6
|
46.2
|
1.0
|
HE21
|
G:GLN96
|
3.7
|
52.8
|
1.0
|
OD2
|
G:ASP120
|
3.8
|
52.9
|
1.0
|
ND2
|
G:ASN119
|
3.8
|
43.3
|
1.0
|
N
|
G:ASP120
|
3.9
|
49.3
|
1.0
|
H
|
G:TYR100
|
4.0
|
64.5
|
1.0
|
OE2
|
G:GLU104
|
4.1
|
51.4
|
1.0
|
CA
|
G:ASP120
|
4.1
|
46.7
|
1.0
|
HB2
|
G:TYR100
|
4.1
|
61.7
|
1.0
|
HB3
|
G:GLU104
|
4.2
|
60.0
|
1.0
|
CB
|
G:ASP120
|
4.3
|
44.0
|
1.0
|
N
|
G:ASP98
|
4.4
|
51.9
|
1.0
|
CG
|
G:GLN96
|
4.4
|
46.4
|
1.0
|
H
|
G:HIS99
|
4.5
|
60.5
|
1.0
|
HB2
|
G:GLU104
|
4.5
|
60.0
|
1.0
|
HB3
|
G:GLN96
|
4.5
|
55.0
|
1.0
|
HB3
|
G:TYR100
|
4.5
|
61.7
|
1.0
|
HA
|
G:PRO97
|
4.6
|
60.0
|
1.0
|
CB
|
G:ASP98
|
4.6
|
46.2
|
1.0
|
HG3
|
G:GLN96
|
4.6
|
55.7
|
1.0
|
HA
|
G:GLN121
|
4.7
|
55.0
|
1.0
|
HD22
|
G:ASN119
|
4.7
|
51.9
|
1.0
|
CB
|
G:GLU104
|
4.7
|
50.0
|
1.0
|
CG
|
G:GLU104
|
4.7
|
52.3
|
1.0
|
HA
|
G:ASN119
|
4.8
|
53.2
|
1.0
|
CB
|
G:ASN119
|
4.8
|
44.4
|
1.0
|
CB
|
G:TYR100
|
4.8
|
51.4
|
1.0
|
N
|
G:GLN121
|
4.8
|
47.1
|
1.0
|
HB2
|
G:ASP120
|
4.8
|
52.8
|
1.0
|
C
|
G:ASN119
|
4.8
|
44.4
|
1.0
|
N
|
G:HIS99
|
4.9
|
50.4
|
1.0
|
HB3
|
G:ASP98
|
4.9
|
55.5
|
1.0
|
N
|
G:TYR100
|
4.9
|
53.7
|
1.0
|
HB3
|
G:ASP120
|
4.9
|
52.8
|
1.0
|
CA
|
G:ASP98
|
4.9
|
49.4
|
1.0
|
CB
|
G:GLN96
|
5.0
|
45.9
|
1.0
|
|
Calcium binding site 8 out
of 10 in 5f2q
Go back to
Calcium Binding Sites List in 5f2q
Calcium binding site 8 out
of 10 in the C-Type Lectin From Bothrops Jararacussu
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of C-Type Lectin From Bothrops Jararacussu within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Ca201
b:69.4
occ:1.00
|
OD1
|
H:ASP120
|
2.3
|
69.7
|
1.0
|
OD1
|
H:ASN119
|
2.4
|
69.2
|
1.0
|
O
|
H:HOH301
|
2.4
|
65.6
|
1.0
|
OD2
|
H:ASP98
|
2.5
|
72.9
|
1.0
|
O
|
H:ASP120
|
2.5
|
72.6
|
1.0
|
OE1
|
H:GLN96
|
2.5
|
64.0
|
1.0
|
HE22
|
H:GLN96
|
2.7
|
77.9
|
1.0
|
H1
|
H:HOH301
|
2.9
|
78.7
|
1.0
|
H2
|
H:HOH301
|
3.0
|
78.7
|
1.0
|
CG
|
H:ASP98
|
3.2
|
74.2
|
1.0
|
CD
|
H:GLN96
|
3.2
|
64.6
|
1.0
|
NE2
|
H:GLN96
|
3.2
|
64.9
|
1.0
|
OD1
|
H:ASP98
|
3.2
|
72.3
|
1.0
|
OE2
|
H:GLU104
|
3.3
|
77.5
|
1.0
|
OE1
|
H:GLU104
|
3.4
|
78.9
|
1.0
|
H
|
H:ASP120
|
3.4
|
78.7
|
1.0
|
CG
|
H:ASN119
|
3.4
|
65.5
|
1.0
|
CG
|
H:ASP120
|
3.5
|
69.0
|
1.0
|
HD21
|
H:ASN119
|
3.5
|
73.9
|
1.0
|
C
|
H:ASP120
|
3.6
|
66.8
|
1.0
|
CD
|
H:GLU104
|
3.7
|
79.6
|
1.0
|
ND2
|
H:ASN119
|
3.9
|
61.6
|
1.0
|
N
|
H:ASP120
|
3.9
|
65.6
|
1.0
|
HE21
|
H:GLN96
|
4.0
|
77.9
|
1.0
|
OD2
|
H:ASP120
|
4.2
|
71.4
|
1.0
|
CA
|
H:ASP120
|
4.2
|
66.0
|
1.0
|
HB2
|
H:TYR100
|
4.2
|
96.0
|
1.0
|
CB
|
H:ASP120
|
4.4
|
68.2
|
1.0
|
HA
|
H:GLN121
|
4.5
|
85.3
|
1.0
|
CB
|
H:ASP98
|
4.6
|
74.4
|
1.0
|
CG
|
H:GLN96
|
4.6
|
67.0
|
1.0
|
HA
|
H:ASN119
|
4.7
|
75.9
|
1.0
|
HD22
|
H:ASN119
|
4.7
|
73.9
|
1.0
|
HB3
|
H:ASP98
|
4.7
|
89.2
|
1.0
|
H
|
H:TYR100
|
4.7
|
0.1
|
1.0
|
CB
|
H:ASN119
|
4.8
|
65.8
|
1.0
|
N
|
H:GLN121
|
4.8
|
65.6
|
1.0
|
HG3
|
H:GLN96
|
4.8
|
80.4
|
1.0
|
H
|
H:ASP98
|
4.8
|
84.4
|
1.0
|
C
|
H:ASN119
|
4.8
|
61.0
|
1.0
|
HA
|
H:PRO97
|
4.9
|
81.3
|
1.0
|
HB3
|
H:GLN96
|
4.9
|
84.0
|
1.0
|
HB2
|
H:ASP120
|
4.9
|
81.8
|
1.0
|
HB3
|
H:GLU104
|
5.0
|
94.4
|
1.0
|
HB3
|
H:TYR100
|
5.0
|
96.0
|
1.0
|
|
Calcium binding site 9 out
of 10 in 5f2q
Go back to
Calcium Binding Sites List in 5f2q
Calcium binding site 9 out
of 10 in the C-Type Lectin From Bothrops Jararacussu
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of C-Type Lectin From Bothrops Jararacussu within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Ca201
b:49.0
occ:1.00
|
OD1
|
I:ASP120
|
2.3
|
50.0
|
1.0
|
OE2
|
I:GLU104
|
2.3
|
54.9
|
1.0
|
OD1
|
I:ASN119
|
2.3
|
43.2
|
1.0
|
O
|
I:HOH301
|
2.5
|
34.5
|
1.0
|
O
|
I:ASP120
|
2.5
|
48.9
|
1.0
|
H2
|
I:HOH301
|
2.5
|
41.5
|
1.0
|
OD1
|
I:ASP98
|
2.5
|
51.3
|
1.0
|
OE1
|
I:GLN96
|
2.5
|
46.1
|
1.0
|
OD2
|
I:ASP98
|
2.5
|
47.8
|
1.0
|
CG
|
I:ASP98
|
2.8
|
50.7
|
1.0
|
H1
|
I:HOH301
|
2.8
|
41.5
|
1.0
|
HE22
|
I:GLN96
|
3.0
|
55.7
|
1.0
|
HD21
|
I:ASN119
|
3.2
|
53.2
|
1.0
|
CG
|
I:ASN119
|
3.2
|
45.4
|
1.0
|
CD
|
I:GLN96
|
3.3
|
44.9
|
1.0
|
CD
|
I:GLU104
|
3.4
|
56.1
|
1.0
|
CG
|
I:ASP120
|
3.4
|
49.0
|
1.0
|
NE2
|
I:GLN96
|
3.4
|
46.4
|
1.0
|
ND2
|
I:ASN119
|
3.6
|
44.4
|
1.0
|
C
|
I:ASP120
|
3.6
|
47.2
|
1.0
|
H
|
I:ASP120
|
3.6
|
58.1
|
1.0
|
H
|
I:ASP98
|
3.7
|
61.3
|
1.0
|
OE1
|
I:GLU104
|
3.8
|
56.3
|
1.0
|
N
|
I:ASP120
|
3.9
|
48.4
|
1.0
|
CA
|
I:ASP120
|
4.1
|
48.3
|
1.0
|
HB2
|
I:TYR100
|
4.1
|
63.1
|
1.0
|
OD2
|
I:ASP120
|
4.2
|
46.0
|
1.0
|
CB
|
I:ASP98
|
4.2
|
51.5
|
1.0
|
HE21
|
I:GLN96
|
4.2
|
55.7
|
1.0
|
HB3
|
I:GLU104
|
4.3
|
63.2
|
1.0
|
H
|
I:TYR100
|
4.3
|
60.2
|
1.0
|
HB3
|
I:ASP98
|
4.4
|
61.8
|
1.0
|
CB
|
I:ASP120
|
4.4
|
49.5
|
1.0
|
HD22
|
I:ASN119
|
4.4
|
53.2
|
1.0
|
N
|
I:ASP98
|
4.5
|
51.1
|
1.0
|
HA
|
I:GLN121
|
4.5
|
58.5
|
1.0
|
HA
|
I:ASN119
|
4.5
|
58.4
|
1.0
|
CB
|
I:ASN119
|
4.6
|
52.2
|
1.0
|
C
|
I:ASN119
|
4.6
|
47.9
|
1.0
|
CG
|
I:GLU104
|
4.6
|
51.7
|
1.0
|
CG
|
I:GLN96
|
4.6
|
45.3
|
1.0
|
HB2
|
I:GLU104
|
4.7
|
63.2
|
1.0
|
HB3
|
I:TYR100
|
4.7
|
63.1
|
1.0
|
N
|
I:GLN121
|
4.7
|
46.8
|
1.0
|
HG3
|
I:GLN96
|
4.8
|
54.4
|
1.0
|
CB
|
I:GLU104
|
4.8
|
52.7
|
1.0
|
HA
|
I:PRO97
|
4.8
|
59.4
|
1.0
|
CA
|
I:ASN119
|
4.8
|
48.6
|
1.0
|
HB2
|
I:ASP98
|
4.8
|
61.8
|
1.0
|
H
|
I:HIS99
|
4.9
|
63.0
|
1.0
|
CB
|
I:TYR100
|
4.9
|
52.5
|
1.0
|
CA
|
I:ASP98
|
4.9
|
49.9
|
1.0
|
HB2
|
I:ASP120
|
4.9
|
59.4
|
1.0
|
HB3
|
I:GLN96
|
4.9
|
54.2
|
1.0
|
HB2
|
I:ASN119
|
4.9
|
62.7
|
1.0
|
|
Calcium binding site 10 out
of 10 in 5f2q
Go back to
Calcium Binding Sites List in 5f2q
Calcium binding site 10 out
of 10 in the C-Type Lectin From Bothrops Jararacussu
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of C-Type Lectin From Bothrops Jararacussu within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Ca201
b:71.9
occ:1.00
|
OD1
|
J:ASP120
|
2.4
|
70.5
|
1.0
|
O
|
J:HOH301
|
2.4
|
67.6
|
1.0
|
OD1
|
J:ASN119
|
2.4
|
67.6
|
1.0
|
OE1
|
J:GLU104
|
2.4
|
72.5
|
1.0
|
O
|
J:ASP120
|
2.5
|
67.3
|
1.0
|
OD1
|
J:ASP98
|
2.5
|
74.0
|
1.0
|
OE1
|
J:GLN96
|
2.5
|
64.5
|
1.0
|
H2
|
J:HOH301
|
2.7
|
81.1
|
1.0
|
HE22
|
J:GLN96
|
2.9
|
80.7
|
1.0
|
O
|
J:HOH302
|
3.0
|
59.1
|
1.0
|
H1
|
J:HOH301
|
3.0
|
81.1
|
1.0
|
H2
|
J:HOH302
|
3.2
|
70.9
|
1.0
|
CD
|
J:GLN96
|
3.3
|
67.7
|
1.0
|
CG
|
J:ASP120
|
3.3
|
71.3
|
1.0
|
H
|
J:ASP120
|
3.3
|
77.4
|
1.0
|
CD
|
J:GLU104
|
3.4
|
75.0
|
1.0
|
NE2
|
J:GLN96
|
3.4
|
67.3
|
1.0
|
CG
|
J:ASN119
|
3.4
|
68.2
|
1.0
|
HD21
|
J:ASN119
|
3.4
|
82.2
|
1.0
|
C
|
J:ASP120
|
3.5
|
68.4
|
1.0
|
CG
|
J:ASP98
|
3.5
|
74.3
|
1.0
|
N
|
J:ASP120
|
3.7
|
64.5
|
1.0
|
OE2
|
J:GLU104
|
3.8
|
73.1
|
1.0
|
ND2
|
J:ASN119
|
3.8
|
68.5
|
1.0
|
H1
|
J:HOH302
|
3.8
|
70.9
|
1.0
|
H
|
J:ASP98
|
3.9
|
89.6
|
1.0
|
OD2
|
J:ASP120
|
3.9
|
70.5
|
1.0
|
OD2
|
J:ASP98
|
3.9
|
73.7
|
1.0
|
CA
|
J:ASP120
|
4.0
|
65.6
|
1.0
|
HB3
|
J:GLU104
|
4.0
|
86.3
|
1.0
|
H
|
J:TYR100
|
4.1
|
91.1
|
1.0
|
HE21
|
J:GLN96
|
4.2
|
80.7
|
1.0
|
CB
|
J:ASP120
|
4.2
|
68.3
|
1.0
|
HB3
|
J:TYR100
|
4.3
|
96.6
|
1.0
|
HB2
|
J:TYR100
|
4.5
|
96.6
|
1.0
|
HA
|
J:ASN119
|
4.5
|
73.4
|
1.0
|
CG
|
J:GLU104
|
4.6
|
74.5
|
1.0
|
C
|
J:ASN119
|
4.6
|
62.6
|
1.0
|
N
|
J:ASP98
|
4.6
|
74.7
|
1.0
|
H
|
J:HIS99
|
4.6
|
93.5
|
1.0
|
HA
|
J:GLN121
|
4.6
|
79.1
|
1.0
|
HD22
|
J:ASN119
|
4.6
|
82.2
|
1.0
|
HA
|
J:PRO97
|
4.6
|
81.6
|
1.0
|
CB
|
J:GLU104
|
4.6
|
71.9
|
1.0
|
CB
|
J:ASN119
|
4.7
|
65.0
|
1.0
|
HB2
|
J:GLU104
|
4.7
|
86.3
|
1.0
|
HB2
|
J:ASP120
|
4.7
|
82.0
|
1.0
|
CG
|
J:GLN96
|
4.7
|
67.0
|
1.0
|
N
|
J:GLN121
|
4.7
|
66.7
|
1.0
|
CB
|
J:ASP98
|
4.8
|
71.7
|
1.0
|
HB3
|
J:GLN96
|
4.8
|
82.2
|
1.0
|
CB
|
J:TYR100
|
4.9
|
80.5
|
1.0
|
CA
|
J:ASN119
|
4.9
|
61.1
|
1.0
|
N
|
J:TYR100
|
4.9
|
75.9
|
1.0
|
HB3
|
J:ASP120
|
4.9
|
82.0
|
1.0
|
HG3
|
J:GLN96
|
4.9
|
80.4
|
1.0
|
HA
|
J:ASP120
|
4.9
|
78.7
|
1.0
|
N
|
J:HIS99
|
5.0
|
77.9
|
1.0
|
|
Reference:
R.A.P.De Padua,
M.P.Pinheiro,
M.A.Sartim,
S.S.Vilela,
M.C.Nonato.
C-Type Lectin From Bothrops Jararacussu To Be Published.
Page generated: Sun Jul 14 19:03:04 2024
|