Calcium in PDB 7tba: Pentraxin - Ligand Complex
Protein crystallography data
The structure of Pentraxin - Ligand Complex, PDB code: 7tba
was solved by
K.S.C.T.Shing,
C.J.Morton,
M.W.Parker,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
41.54 /
3.50
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
72.568,
98.172,
160.4,
89.08,
89.76,
87.48
|
R / Rfree (%)
|
21.2 /
26
|
Calcium Binding Sites:
Calcium binding site 1 out
of 40 in 7tba
Go back to
Calcium Binding Sites List in 7tba
Calcium binding site 1 out
of 40 in the Pentraxin - Ligand Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Pentraxin - Ligand Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca302
b:53.2
occ:1.00
|
OD1
|
A:ASP140
|
2.3
|
58.8
|
1.0
|
HG3
|
A:GLU147
|
2.4
|
84.7
|
1.0
|
OD2
|
A:ASP140
|
2.4
|
66.5
|
1.0
|
O15
|
A:XQY301
|
2.6
|
65.8
|
1.0
|
CG
|
A:ASP140
|
2.6
|
63.7
|
1.0
|
OE1
|
A:GLN150
|
2.8
|
64.1
|
1.0
|
OE1
|
A:GLU138
|
2.8
|
63.5
|
1.0
|
OE2
|
A:GLU147
|
2.9
|
66.3
|
1.0
|
O14
|
A:XQY301
|
3.2
|
74.8
|
1.0
|
CG
|
A:GLU147
|
3.2
|
70.3
|
1.0
|
HB3
|
A:GLU138
|
3.3
|
62.4
|
1.0
|
CD
|
A:GLU147
|
3.5
|
69.4
|
1.0
|
P13
|
A:XQY301
|
3.5
|
73.5
|
1.0
|
HB2
|
A:GLU147
|
3.5
|
76.4
|
1.0
|
HE22
|
A:GLN150
|
3.7
|
73.6
|
1.0
|
CD
|
A:GLN150
|
3.8
|
61.7
|
1.0
|
H
|
A:GLU147
|
3.9
|
73.2
|
1.0
|
CB
|
A:GLU147
|
3.9
|
63.4
|
1.0
|
CD
|
A:GLU138
|
4.0
|
59.7
|
1.0
|
HG2
|
A:GLU147
|
4.0
|
84.7
|
1.0
|
CB
|
A:ASP140
|
4.0
|
65.9
|
1.0
|
O
|
A:GLU138
|
4.1
|
58.5
|
1.0
|
NE2
|
A:GLN150
|
4.2
|
61.1
|
1.0
|
O
|
A:ASN145
|
4.2
|
65.2
|
1.0
|
CB
|
A:GLU138
|
4.2
|
51.7
|
1.0
|
O16
|
A:XQY301
|
4.3
|
78.3
|
1.0
|
HB2
|
A:ASP140
|
4.3
|
79.4
|
1.0
|
N
|
A:GLU147
|
4.4
|
60.7
|
1.0
|
N
|
A:ASP140
|
4.4
|
58.6
|
1.0
|
HA
|
A:ASP140
|
4.5
|
75.7
|
1.0
|
C
|
A:GLU138
|
4.5
|
56.1
|
1.0
|
CG
|
A:GLU138
|
4.5
|
55.8
|
1.0
|
H
|
A:ASP140
|
4.6
|
70.7
|
1.0
|
CA
|
A:ASP140
|
4.6
|
62.8
|
1.0
|
CA
|
A:CA303
|
4.6
|
61.2
|
1.0
|
HG3
|
A:GLU138
|
4.6
|
67.3
|
1.0
|
C
|
A:GLN139
|
4.6
|
58.0
|
1.0
|
HB3
|
A:ASP140
|
4.6
|
79.4
|
1.0
|
OE1
|
A:GLU147
|
4.7
|
68.5
|
1.0
|
HB3
|
A:GLU147
|
4.7
|
76.4
|
1.0
|
O
|
A:GLN139
|
4.7
|
55.4
|
1.0
|
HA
|
A:PHE146
|
4.7
|
70.3
|
1.0
|
H122
|
A:XQY301
|
4.7
|
77.0
|
1.0
|
HB2
|
A:GLN150
|
4.8
|
71.4
|
1.0
|
HB2
|
A:GLU138
|
4.8
|
62.4
|
1.0
|
CA
|
A:GLU147
|
4.8
|
58.4
|
1.0
|
C12
|
A:XQY301
|
4.9
|
63.9
|
1.0
|
OE2
|
A:GLU138
|
5.0
|
58.0
|
1.0
|
|
Calcium binding site 2 out
of 40 in 7tba
Go back to
Calcium Binding Sites List in 7tba
Calcium binding site 2 out
of 40 in the Pentraxin - Ligand Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Pentraxin - Ligand Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca303
b:61.2
occ:1.00
|
O
|
A:GLN139
|
2.3
|
55.4
|
1.0
|
OD1
|
A:ASN61
|
2.4
|
70.3
|
1.0
|
OE2
|
A:GLU138
|
2.4
|
58.0
|
1.0
|
O14
|
A:XQY301
|
2.6
|
74.8
|
1.0
|
OE1
|
A:GLU138
|
2.7
|
63.5
|
1.0
|
CD
|
A:GLU138
|
2.9
|
59.7
|
1.0
|
HA
|
A:ASP140
|
3.2
|
75.7
|
1.0
|
HD21
|
A:ASN61
|
3.3
|
100.2
|
1.0
|
CG
|
A:ASN61
|
3.4
|
74.2
|
1.0
|
OD1
|
A:ASP140
|
3.4
|
58.8
|
1.0
|
C
|
A:GLN139
|
3.4
|
58.0
|
1.0
|
H122
|
A:XQY301
|
3.4
|
77.0
|
1.0
|
HB2
|
A:ASP60
|
3.4
|
72.5
|
1.0
|
H121
|
A:XQY301
|
3.5
|
77.0
|
1.0
|
P13
|
A:XQY301
|
3.6
|
73.5
|
1.0
|
CG
|
A:ASP60
|
3.6
|
66.5
|
1.0
|
OD2
|
A:ASP60
|
3.7
|
59.2
|
1.0
|
C12
|
A:XQY301
|
3.7
|
63.9
|
1.0
|
ND2
|
A:ASN61
|
3.7
|
83.2
|
1.0
|
O
|
A:ASP60
|
3.8
|
56.2
|
1.0
|
OD1
|
A:ASP60
|
4.0
|
72.0
|
1.0
|
CA
|
A:ASP140
|
4.0
|
62.8
|
1.0
|
CB
|
A:ASP60
|
4.0
|
60.1
|
1.0
|
N
|
A:ASP140
|
4.1
|
58.6
|
1.0
|
C
|
A:ASP60
|
4.3
|
59.6
|
1.0
|
CG
|
A:GLU138
|
4.4
|
55.8
|
1.0
|
H
|
A:GLN139
|
4.4
|
67.6
|
1.0
|
O15
|
A:XQY301
|
4.4
|
65.8
|
1.0
|
HD22
|
A:LEU64
|
4.5
|
70.4
|
1.0
|
CG
|
A:ASP140
|
4.5
|
63.7
|
1.0
|
N
|
A:GLN139
|
4.5
|
56.0
|
1.0
|
HD22
|
A:ASN61
|
4.6
|
100.2
|
1.0
|
CA
|
A:GLN139
|
4.6
|
55.5
|
1.0
|
CA
|
A:CA302
|
4.6
|
53.2
|
1.0
|
O16
|
A:XQY301
|
4.7
|
78.3
|
1.0
|
HG3
|
A:GLU138
|
4.7
|
67.3
|
1.0
|
HA
|
A:ASN61
|
4.7
|
87.9
|
1.0
|
HG2
|
A:GLU138
|
4.7
|
67.3
|
1.0
|
CB
|
A:ASN61
|
4.7
|
69.9
|
1.0
|
HB3
|
A:ASP60
|
4.8
|
72.5
|
1.0
|
N
|
A:ASN61
|
4.8
|
78.3
|
1.0
|
CA
|
A:ASP60
|
4.8
|
58.4
|
1.0
|
CB
|
A:ASP140
|
4.8
|
65.9
|
1.0
|
HB2
|
A:GLN139
|
4.9
|
63.4
|
1.0
|
HD13
|
A:LEU64
|
4.9
|
63.9
|
1.0
|
H
|
A:ASP140
|
4.9
|
70.7
|
1.0
|
|
Calcium binding site 3 out
of 40 in 7tba
Go back to
Calcium Binding Sites List in 7tba
Calcium binding site 3 out
of 40 in the Pentraxin - Ligand Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Pentraxin - Ligand Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca302
b:52.5
occ:1.00
|
OE1
|
B:GLN150
|
2.4
|
63.3
|
1.0
|
OE1
|
B:GLU138
|
2.5
|
60.0
|
1.0
|
O15
|
B:XQY301
|
2.5
|
67.1
|
1.0
|
OD1
|
B:ASP140
|
2.7
|
63.3
|
1.0
|
HG3
|
B:GLU147
|
2.8
|
86.4
|
1.0
|
HB3
|
B:GLU138
|
2.9
|
63.7
|
1.0
|
OD2
|
B:ASP140
|
3.0
|
73.3
|
1.0
|
CG
|
B:ASP140
|
3.1
|
65.5
|
1.0
|
HB2
|
B:GLU147
|
3.3
|
91.4
|
1.0
|
HE22
|
B:GLN150
|
3.4
|
81.4
|
1.0
|
CD
|
B:GLN150
|
3.4
|
62.2
|
1.0
|
OE2
|
B:GLU147
|
3.4
|
72.0
|
1.0
|
O14
|
B:XQY301
|
3.4
|
66.4
|
1.0
|
CG
|
B:GLU147
|
3.6
|
71.7
|
1.0
|
P13
|
B:XQY301
|
3.6
|
75.2
|
1.0
|
CD
|
B:GLU138
|
3.6
|
55.2
|
1.0
|
H
|
B:GLU147
|
3.7
|
96.7
|
1.0
|
NE2
|
B:GLN150
|
3.8
|
67.5
|
1.0
|
CB
|
B:GLU138
|
3.8
|
52.8
|
1.0
|
O
|
B:GLU138
|
3.9
|
64.8
|
1.0
|
CD
|
B:GLU147
|
3.9
|
71.7
|
1.0
|
CB
|
B:GLU147
|
3.9
|
75.9
|
1.0
|
CG
|
B:GLU138
|
4.1
|
52.3
|
1.0
|
HG3
|
B:GLU138
|
4.2
|
63.1
|
1.0
|
C
|
B:GLU138
|
4.2
|
54.7
|
1.0
|
N
|
B:GLU147
|
4.3
|
80.3
|
1.0
|
HB2
|
B:GLU138
|
4.3
|
63.7
|
1.0
|
HG2
|
B:GLU147
|
4.4
|
86.4
|
1.0
|
O
|
B:ASN145
|
4.4
|
71.2
|
1.0
|
HB2
|
B:GLN150
|
4.4
|
60.3
|
1.0
|
CB
|
B:ASP140
|
4.5
|
59.9
|
1.0
|
H122
|
B:XQY301
|
4.5
|
79.6
|
1.0
|
O16
|
B:XQY301
|
4.5
|
79.4
|
1.0
|
N
|
B:ASP140
|
4.6
|
61.6
|
1.0
|
HE21
|
B:GLN150
|
4.6
|
81.4
|
1.0
|
HA
|
B:PHE146
|
4.6
|
93.4
|
1.0
|
C
|
B:GLN139
|
4.6
|
57.7
|
1.0
|
OE2
|
B:GLU138
|
4.7
|
51.2
|
1.0
|
CA
|
B:GLU138
|
4.7
|
53.4
|
1.0
|
HB3
|
B:GLU147
|
4.7
|
91.4
|
1.0
|
O
|
B:GLN139
|
4.7
|
56.4
|
1.0
|
H
|
B:ASP140
|
4.7
|
74.2
|
1.0
|
CG
|
B:GLN150
|
4.7
|
54.3
|
1.0
|
HA
|
B:ASP140
|
4.7
|
70.5
|
1.0
|
HB2
|
B:ASP140
|
4.8
|
72.2
|
1.0
|
CA
|
B:CA303
|
4.8
|
53.1
|
1.0
|
C12
|
B:XQY301
|
4.8
|
66.1
|
1.0
|
CA
|
B:GLU147
|
4.8
|
81.4
|
1.0
|
N
|
B:GLN139
|
4.9
|
49.4
|
1.0
|
CA
|
B:ASP140
|
4.9
|
58.4
|
1.0
|
CB
|
B:GLN150
|
5.0
|
50.0
|
1.0
|
|
Calcium binding site 4 out
of 40 in 7tba
Go back to
Calcium Binding Sites List in 7tba
Calcium binding site 4 out
of 40 in the Pentraxin - Ligand Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Pentraxin - Ligand Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca303
b:53.1
occ:1.00
|
O
|
B:GLN139
|
2.3
|
56.4
|
1.0
|
O14
|
B:XQY301
|
2.4
|
66.4
|
1.0
|
OD1
|
B:ASN61
|
2.6
|
62.2
|
1.0
|
HA
|
B:ASP140
|
2.7
|
70.5
|
1.0
|
OE2
|
B:GLU138
|
3.0
|
51.2
|
1.0
|
HB2
|
B:ASP60
|
3.0
|
70.8
|
1.0
|
OE1
|
B:GLU138
|
3.1
|
60.0
|
1.0
|
OD1
|
B:ASP140
|
3.2
|
63.3
|
1.0
|
C
|
B:GLN139
|
3.4
|
57.7
|
1.0
|
HD21
|
B:ASN61
|
3.4
|
77.9
|
1.0
|
CG
|
B:ASP60
|
3.4
|
60.4
|
1.0
|
OD2
|
B:ASP60
|
3.4
|
55.5
|
1.0
|
CG
|
B:ASN61
|
3.5
|
63.6
|
1.0
|
CD
|
B:GLU138
|
3.5
|
55.2
|
1.0
|
CA
|
B:ASP140
|
3.6
|
58.4
|
1.0
|
CB
|
B:ASP60
|
3.7
|
58.7
|
1.0
|
P13
|
B:XQY301
|
3.7
|
75.2
|
1.0
|
O
|
B:ASP60
|
3.7
|
54.2
|
1.0
|
ND2
|
B:ASN61
|
3.7
|
64.6
|
1.0
|
H121
|
B:XQY301
|
3.8
|
79.6
|
1.0
|
OD1
|
B:ASP60
|
3.8
|
61.8
|
1.0
|
N
|
B:ASP140
|
3.9
|
61.6
|
1.0
|
H122
|
B:XQY301
|
3.9
|
79.6
|
1.0
|
C12
|
B:XQY301
|
4.0
|
66.1
|
1.0
|
C
|
B:ASP60
|
4.1
|
60.3
|
1.0
|
CG
|
B:ASP140
|
4.2
|
65.5
|
1.0
|
HB3
|
B:ASP60
|
4.4
|
70.8
|
1.0
|
CB
|
B:ASP140
|
4.5
|
59.9
|
1.0
|
CA
|
B:ASP60
|
4.5
|
60.6
|
1.0
|
O15
|
B:XQY301
|
4.5
|
67.1
|
1.0
|
HD22
|
B:ASN61
|
4.5
|
77.9
|
1.0
|
O16
|
B:XQY301
|
4.6
|
79.4
|
1.0
|
C
|
B:ASP140
|
4.6
|
53.7
|
1.0
|
CA
|
B:GLN139
|
4.6
|
52.2
|
1.0
|
N
|
B:ASN61
|
4.7
|
60.6
|
1.0
|
H
|
B:ASP140
|
4.7
|
74.2
|
1.0
|
H
|
B:GLN139
|
4.7
|
59.7
|
1.0
|
CB
|
B:ASN61
|
4.7
|
61.7
|
1.0
|
CA
|
B:CA302
|
4.8
|
52.5
|
1.0
|
HA
|
B:ASN61
|
4.8
|
73.4
|
1.0
|
HB3
|
B:ASP140
|
4.8
|
72.2
|
1.0
|
N
|
B:GLN139
|
4.8
|
49.4
|
1.0
|
O
|
B:ASP140
|
4.8
|
52.2
|
1.0
|
CG
|
B:GLU138
|
5.0
|
52.3
|
1.0
|
|
Calcium binding site 5 out
of 40 in 7tba
Go back to
Calcium Binding Sites List in 7tba
Calcium binding site 5 out
of 40 in the Pentraxin - Ligand Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Pentraxin - Ligand Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca302
b:59.7
occ:1.00
|
HG3
|
C:GLU147
|
2.4
|
72.8
|
1.0
|
OE1
|
C:GLN150
|
2.5
|
58.7
|
1.0
|
O16
|
C:XQY301
|
2.8
|
71.1
|
1.0
|
OE1
|
C:GLU138
|
2.9
|
60.6
|
1.0
|
HB3
|
C:GLU138
|
2.9
|
73.5
|
1.0
|
OD2
|
C:ASP140
|
3.0
|
58.4
|
1.0
|
OD1
|
C:ASP140
|
3.1
|
50.5
|
1.0
|
HB2
|
C:GLU147
|
3.2
|
77.8
|
1.0
|
CG
|
C:GLU147
|
3.2
|
60.4
|
1.0
|
OE2
|
C:GLU147
|
3.2
|
60.5
|
1.0
|
CG
|
C:ASP140
|
3.3
|
53.7
|
1.0
|
O14
|
C:XQY301
|
3.5
|
67.4
|
1.0
|
CD
|
C:GLN150
|
3.5
|
61.7
|
1.0
|
HE22
|
C:GLN150
|
3.5
|
76.2
|
1.0
|
H
|
C:GLU147
|
3.5
|
86.7
|
1.0
|
CD
|
C:GLU147
|
3.6
|
59.0
|
1.0
|
CB
|
C:GLU147
|
3.7
|
64.5
|
1.0
|
P13
|
C:XQY301
|
3.7
|
83.2
|
1.0
|
CB
|
C:GLU138
|
3.8
|
60.9
|
1.0
|
NE2
|
C:GLN150
|
3.9
|
63.2
|
1.0
|
O
|
C:GLU138
|
3.9
|
63.7
|
1.0
|
CD
|
C:GLU138
|
4.0
|
56.1
|
1.0
|
HG2
|
C:GLU147
|
4.0
|
72.8
|
1.0
|
N
|
C:GLU147
|
4.1
|
71.9
|
1.0
|
CG
|
C:GLU138
|
4.3
|
56.6
|
1.0
|
HB2
|
C:GLU138
|
4.3
|
73.5
|
1.0
|
O
|
C:ASN145
|
4.3
|
73.9
|
1.0
|
HG3
|
C:GLU138
|
4.3
|
68.3
|
1.0
|
C
|
C:GLU138
|
4.4
|
62.1
|
1.0
|
HB2
|
C:GLN150
|
4.4
|
68.7
|
1.0
|
HA
|
C:PHE146
|
4.5
|
97.5
|
1.0
|
HB3
|
C:GLU147
|
4.5
|
77.8
|
1.0
|
CA
|
C:GLU147
|
4.5
|
71.4
|
1.0
|
CB
|
C:ASP140
|
4.6
|
61.2
|
1.0
|
H122
|
C:XQY301
|
4.6
|
76.5
|
1.0
|
CA
|
C:GLU138
|
4.7
|
58.0
|
1.0
|
HE21
|
C:GLN150
|
4.7
|
76.2
|
1.0
|
O15
|
C:XQY301
|
4.7
|
84.5
|
1.0
|
CG
|
C:GLN150
|
4.8
|
59.8
|
1.0
|
HB2
|
C:ASP140
|
4.8
|
73.8
|
1.0
|
N
|
C:ASP140
|
4.8
|
61.3
|
1.0
|
OE1
|
C:GLU147
|
4.8
|
60.2
|
1.0
|
CA
|
C:CA303
|
4.9
|
42.9
|
1.0
|
C
|
C:GLN139
|
4.9
|
56.6
|
1.0
|
C12
|
C:XQY301
|
4.9
|
63.4
|
1.0
|
C
|
C:PHE146
|
4.9
|
77.2
|
1.0
|
H
|
C:ASP140
|
4.9
|
74.0
|
1.0
|
CB
|
C:GLN150
|
5.0
|
57.0
|
1.0
|
|
Calcium binding site 6 out
of 40 in 7tba
Go back to
Calcium Binding Sites List in 7tba
Calcium binding site 6 out
of 40 in the Pentraxin - Ligand Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Pentraxin - Ligand Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca303
b:42.9
occ:1.00
|
OD1
|
C:ASN61
|
2.5
|
43.8
|
1.0
|
O14
|
C:XQY301
|
2.6
|
67.4
|
1.0
|
OE1
|
C:GLU138
|
2.7
|
60.6
|
1.0
|
O
|
C:GLN139
|
2.7
|
52.3
|
1.0
|
OE2
|
C:GLU138
|
2.7
|
49.0
|
1.0
|
HD21
|
C:ASN61
|
2.9
|
64.5
|
1.0
|
CD
|
C:GLU138
|
3.1
|
56.1
|
1.0
|
OD1
|
C:ASP140
|
3.2
|
50.5
|
1.0
|
CG
|
C:ASN61
|
3.2
|
48.7
|
1.0
|
H121
|
C:XQY301
|
3.3
|
76.5
|
1.0
|
HA
|
C:ASP140
|
3.3
|
75.4
|
1.0
|
ND2
|
C:ASN61
|
3.3
|
53.4
|
1.0
|
H122
|
C:XQY301
|
3.4
|
76.5
|
1.0
|
C12
|
C:XQY301
|
3.6
|
63.4
|
1.0
|
HB2
|
C:ASP60
|
3.6
|
61.6
|
1.0
|
P13
|
C:XQY301
|
3.6
|
83.2
|
1.0
|
OD2
|
C:ASP60
|
3.7
|
45.2
|
1.0
|
CG
|
C:ASP60
|
3.7
|
48.0
|
1.0
|
C
|
C:GLN139
|
3.8
|
56.6
|
1.0
|
OD1
|
C:ASP60
|
4.0
|
47.0
|
1.0
|
O
|
C:ASP60
|
4.0
|
49.7
|
1.0
|
CB
|
C:ASP60
|
4.1
|
51.0
|
1.0
|
HD22
|
C:ASN61
|
4.1
|
64.5
|
1.0
|
CA
|
C:ASP140
|
4.2
|
62.5
|
1.0
|
CG
|
C:ASP140
|
4.4
|
53.7
|
1.0
|
C
|
C:ASP60
|
4.4
|
50.4
|
1.0
|
N
|
C:ASP140
|
4.4
|
61.3
|
1.0
|
O16
|
C:XQY301
|
4.5
|
71.1
|
1.0
|
CG
|
C:GLU138
|
4.6
|
56.6
|
1.0
|
HD22
|
C:LEU64
|
4.6
|
46.5
|
1.0
|
CB
|
C:ASN61
|
4.6
|
47.3
|
1.0
|
O15
|
C:XQY301
|
4.6
|
84.5
|
1.0
|
HG3
|
C:GLU138
|
4.8
|
68.3
|
1.0
|
HA
|
C:ASN61
|
4.8
|
54.9
|
1.0
|
H072
|
C:XQY301
|
4.8
|
97.4
|
1.0
|
N
|
C:ASN61
|
4.8
|
51.7
|
1.0
|
H
|
C:GLN139
|
4.9
|
75.9
|
1.0
|
CA
|
C:CA302
|
4.9
|
59.7
|
1.0
|
CB
|
C:ASP140
|
4.9
|
61.2
|
1.0
|
HB3
|
C:ASP60
|
4.9
|
61.6
|
1.0
|
HB2
|
C:ASN61
|
4.9
|
57.1
|
1.0
|
CA
|
C:ASP60
|
4.9
|
51.3
|
1.0
|
N
|
C:GLN139
|
4.9
|
63.0
|
1.0
|
HG2
|
C:GLU138
|
5.0
|
68.3
|
1.0
|
CA
|
C:GLN139
|
5.0
|
59.2
|
1.0
|
|
Calcium binding site 7 out
of 40 in 7tba
Go back to
Calcium Binding Sites List in 7tba
Calcium binding site 7 out
of 40 in the Pentraxin - Ligand Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Pentraxin - Ligand Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca302
b:47.0
occ:1.00
|
OD1
|
D:ASP140
|
2.4
|
61.8
|
1.0
|
O16
|
D:XQY301
|
2.4
|
63.5
|
1.0
|
OE1
|
D:GLU138
|
2.6
|
55.7
|
1.0
|
OD2
|
D:ASP140
|
2.7
|
66.7
|
1.0
|
HG3
|
D:GLU147
|
2.7
|
71.1
|
1.0
|
OE1
|
D:GLN150
|
2.7
|
56.9
|
1.0
|
CG
|
D:ASP140
|
2.8
|
61.9
|
1.0
|
OE2
|
D:GLU147
|
3.0
|
57.4
|
1.0
|
O14
|
D:XQY301
|
3.0
|
73.0
|
1.0
|
HB3
|
D:GLU138
|
3.3
|
54.9
|
1.0
|
P13
|
D:XQY301
|
3.3
|
71.1
|
1.0
|
CG
|
D:GLU147
|
3.5
|
59.0
|
1.0
|
HE22
|
D:GLN150
|
3.5
|
72.3
|
1.0
|
HB2
|
D:GLU147
|
3.6
|
76.5
|
1.0
|
CD
|
D:GLU147
|
3.6
|
63.0
|
1.0
|
CD
|
D:GLN150
|
3.7
|
56.6
|
1.0
|
CD
|
D:GLU138
|
3.7
|
56.0
|
1.0
|
NE2
|
D:GLN150
|
4.0
|
60.0
|
1.0
|
H
|
D:GLU147
|
4.1
|
72.0
|
1.0
|
CB
|
D:GLU147
|
4.1
|
63.5
|
1.0
|
CB
|
D:GLU138
|
4.2
|
45.5
|
1.0
|
O
|
D:GLU138
|
4.2
|
47.1
|
1.0
|
CB
|
D:ASP140
|
4.2
|
59.2
|
1.0
|
HG2
|
D:GLU147
|
4.2
|
71.1
|
1.0
|
H122
|
D:XQY301
|
4.3
|
72.3
|
1.0
|
O15
|
D:XQY301
|
4.3
|
61.3
|
1.0
|
CG
|
D:GLU138
|
4.4
|
49.8
|
1.0
|
HG3
|
D:GLU138
|
4.4
|
60.1
|
1.0
|
CA
|
D:CA303
|
4.4
|
48.7
|
1.0
|
O
|
D:ASN145
|
4.5
|
57.4
|
1.0
|
C12
|
D:XQY301
|
4.5
|
60.0
|
1.0
|
HA
|
D:ASP140
|
4.5
|
70.1
|
1.0
|
C
|
D:GLU138
|
4.6
|
44.0
|
1.0
|
N
|
D:ASP140
|
4.6
|
57.9
|
1.0
|
HB2
|
D:ASP140
|
4.6
|
71.4
|
1.0
|
N
|
D:GLU147
|
4.6
|
59.7
|
1.0
|
O
|
D:GLN139
|
4.7
|
50.0
|
1.0
|
C
|
D:GLN139
|
4.7
|
50.6
|
1.0
|
HB2
|
D:GLN150
|
4.7
|
62.0
|
1.0
|
HB2
|
D:GLU138
|
4.7
|
54.9
|
1.0
|
CA
|
D:ASP140
|
4.7
|
58.1
|
1.0
|
OE2
|
D:GLU138
|
4.7
|
55.6
|
1.0
|
H
|
D:ASP140
|
4.8
|
69.9
|
1.0
|
HE21
|
D:GLN150
|
4.8
|
72.3
|
1.0
|
OE1
|
D:GLU147
|
4.8
|
72.7
|
1.0
|
HB3
|
D:ASP140
|
4.8
|
71.4
|
1.0
|
HB3
|
D:GLU147
|
4.8
|
76.5
|
1.0
|
HA
|
D:PHE146
|
4.9
|
64.1
|
1.0
|
|
Calcium binding site 8 out
of 40 in 7tba
Go back to
Calcium Binding Sites List in 7tba
Calcium binding site 8 out
of 40 in the Pentraxin - Ligand Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Pentraxin - Ligand Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca303
b:48.7
occ:1.00
|
OD1
|
D:ASN61
|
2.4
|
55.2
|
1.0
|
O
|
D:GLN139
|
2.5
|
50.0
|
1.0
|
O14
|
D:XQY301
|
2.5
|
73.0
|
1.0
|
OE2
|
D:GLU138
|
2.6
|
55.6
|
1.0
|
OE1
|
D:GLU138
|
2.8
|
55.7
|
1.0
|
HD21
|
D:ASN61
|
2.8
|
63.7
|
1.0
|
CD
|
D:GLU138
|
3.0
|
56.0
|
1.0
|
CG
|
D:ASN61
|
3.2
|
51.9
|
1.0
|
HA
|
D:ASP140
|
3.2
|
70.1
|
1.0
|
ND2
|
D:ASN61
|
3.3
|
52.8
|
1.0
|
OD1
|
D:ASP140
|
3.3
|
61.8
|
1.0
|
H121
|
D:XQY301
|
3.4
|
72.3
|
1.0
|
H122
|
D:XQY301
|
3.4
|
72.3
|
1.0
|
HB2
|
D:ASP60
|
3.5
|
60.6
|
1.0
|
P13
|
D:XQY301
|
3.6
|
71.1
|
1.0
|
C
|
D:GLN139
|
3.6
|
50.6
|
1.0
|
C12
|
D:XQY301
|
3.6
|
60.0
|
1.0
|
CG
|
D:ASP60
|
3.7
|
56.0
|
1.0
|
OD2
|
D:ASP60
|
3.8
|
50.3
|
1.0
|
O
|
D:ASP60
|
4.0
|
43.5
|
1.0
|
CA
|
D:ASP140
|
4.0
|
58.1
|
1.0
|
OD1
|
D:ASP60
|
4.0
|
60.3
|
1.0
|
HD22
|
D:ASN61
|
4.1
|
63.7
|
1.0
|
CB
|
D:ASP60
|
4.1
|
50.2
|
1.0
|
N
|
D:ASP140
|
4.2
|
57.9
|
1.0
|
C
|
D:ASP60
|
4.3
|
47.3
|
1.0
|
CG
|
D:ASP140
|
4.4
|
61.9
|
1.0
|
CA
|
D:CA302
|
4.4
|
47.0
|
1.0
|
O16
|
D:XQY301
|
4.5
|
63.5
|
1.0
|
CG
|
D:GLU138
|
4.5
|
49.8
|
1.0
|
CB
|
D:ASN61
|
4.5
|
49.9
|
1.0
|
HD22
|
D:LEU64
|
4.6
|
55.1
|
1.0
|
O15
|
D:XQY301
|
4.6
|
61.3
|
1.0
|
H
|
D:GLN139
|
4.7
|
54.9
|
1.0
|
HA
|
D:ASN61
|
4.7
|
55.5
|
1.0
|
N
|
D:GLN139
|
4.7
|
45.4
|
1.0
|
CA
|
D:GLN139
|
4.8
|
48.6
|
1.0
|
N
|
D:ASN61
|
4.8
|
50.1
|
1.0
|
CB
|
D:ASP140
|
4.8
|
59.2
|
1.0
|
HG3
|
D:GLU138
|
4.8
|
60.1
|
1.0
|
HG2
|
D:GLU138
|
4.9
|
60.1
|
1.0
|
HB2
|
D:ASN61
|
4.9
|
60.3
|
1.0
|
HB3
|
D:ASP60
|
4.9
|
60.6
|
1.0
|
H072
|
D:XQY301
|
4.9
|
95.2
|
1.0
|
CA
|
D:ASP60
|
4.9
|
49.0
|
1.0
|
CA
|
D:ASN61
|
5.0
|
45.9
|
1.0
|
H
|
D:ASP140
|
5.0
|
69.9
|
1.0
|
|
Calcium binding site 9 out
of 40 in 7tba
Go back to
Calcium Binding Sites List in 7tba
Calcium binding site 9 out
of 40 in the Pentraxin - Ligand Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Pentraxin - Ligand Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca302
b:57.1
occ:1.00
|
HG3
|
E:GLU147
|
2.3
|
87.5
|
1.0
|
OD2
|
E:ASP140
|
2.5
|
79.4
|
1.0
|
OE1
|
E:GLN150
|
2.6
|
59.6
|
1.0
|
OD1
|
E:ASP140
|
2.7
|
73.3
|
1.0
|
OE1
|
E:GLU138
|
2.7
|
74.2
|
1.0
|
O14
|
E:XQY301
|
2.8
|
76.6
|
1.0
|
CG
|
E:ASP140
|
2.9
|
77.6
|
1.0
|
HB3
|
E:GLU138
|
3.1
|
82.4
|
1.0
|
OE2
|
E:GLU147
|
3.2
|
70.6
|
1.0
|
CG
|
E:GLU147
|
3.2
|
72.7
|
1.0
|
HB2
|
E:GLU147
|
3.4
|
74.7
|
1.0
|
O16
|
E:XQY301
|
3.5
|
82.9
|
1.0
|
HE22
|
E:GLN150
|
3.6
|
74.3
|
1.0
|
H
|
E:GLU147
|
3.6
|
74.5
|
1.0
|
CD
|
E:GLN150
|
3.6
|
57.5
|
1.0
|
CD
|
E:GLU147
|
3.6
|
71.7
|
1.0
|
P13
|
E:XQY301
|
3.8
|
91.7
|
1.0
|
CB
|
E:GLU147
|
3.8
|
62.0
|
1.0
|
CD
|
E:GLU138
|
3.9
|
71.9
|
1.0
|
HG2
|
E:GLU147
|
3.9
|
87.5
|
1.0
|
O
|
E:GLU138
|
3.9
|
68.9
|
1.0
|
NE2
|
E:GLN150
|
4.0
|
61.6
|
1.0
|
CB
|
E:GLU138
|
4.1
|
68.3
|
1.0
|
O
|
E:ASN145
|
4.1
|
86.7
|
1.0
|
N
|
E:GLU147
|
4.1
|
61.8
|
1.0
|
CB
|
E:ASP140
|
4.3
|
79.6
|
1.0
|
CG
|
E:GLU138
|
4.4
|
71.8
|
1.0
|
HA
|
E:PHE146
|
4.4
|
75.2
|
1.0
|
C
|
E:GLU138
|
4.4
|
65.6
|
1.0
|
HG3
|
E:GLU138
|
4.5
|
86.5
|
1.0
|
HB2
|
E:ASP140
|
4.5
|
95.9
|
1.0
|
HB2
|
E:GLN150
|
4.6
|
74.2
|
1.0
|
N
|
E:ASP140
|
4.6
|
74.5
|
1.0
|
HB3
|
E:GLU147
|
4.6
|
74.7
|
1.0
|
HB2
|
E:GLU138
|
4.6
|
82.4
|
1.0
|
CA
|
E:GLU147
|
4.6
|
63.4
|
1.0
|
H122
|
E:XQY301
|
4.6
|
83.4
|
1.0
|
H
|
E:ASP140
|
4.7
|
89.7
|
1.0
|
C
|
E:GLN139
|
4.7
|
67.3
|
1.0
|
HA
|
E:ASP140
|
4.8
|
85.6
|
1.0
|
O15
|
E:XQY301
|
4.8
|
78.1
|
1.0
|
CA
|
E:CA303
|
4.8
|
67.9
|
1.0
|
CA
|
E:ASP140
|
4.8
|
71.1
|
1.0
|
HE21
|
E:GLN150
|
4.8
|
74.3
|
1.0
|
OE1
|
E:GLU147
|
4.9
|
67.3
|
1.0
|
O
|
E:GLN139
|
4.9
|
68.6
|
1.0
|
CA
|
E:GLU138
|
4.9
|
59.6
|
1.0
|
C
|
E:PHE146
|
4.9
|
61.1
|
1.0
|
HB3
|
E:ASP140
|
4.9
|
95.9
|
1.0
|
C12
|
E:XQY301
|
4.9
|
69.2
|
1.0
|
CG
|
E:GLN150
|
4.9
|
55.2
|
1.0
|
OE2
|
E:GLU138
|
4.9
|
65.1
|
1.0
|
|
Calcium binding site 10 out
of 40 in 7tba
Go back to
Calcium Binding Sites List in 7tba
Calcium binding site 10 out
of 40 in the Pentraxin - Ligand Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Pentraxin - Ligand Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca303
b:67.9
occ:1.00
|
OD1
|
E:ASN61
|
2.3
|
71.8
|
1.0
|
OE2
|
E:GLU138
|
2.4
|
65.1
|
1.0
|
O
|
E:GLN139
|
2.5
|
68.6
|
1.0
|
OE1
|
E:GLU138
|
2.7
|
74.2
|
1.0
|
O16
|
E:XQY301
|
2.8
|
82.9
|
1.0
|
CD
|
E:GLU138
|
2.9
|
71.9
|
1.0
|
HD21
|
E:ASN61
|
3.0
|
93.5
|
1.0
|
CG
|
E:ASN61
|
3.2
|
76.2
|
1.0
|
HA
|
E:ASP140
|
3.2
|
85.6
|
1.0
|
OD1
|
E:ASP140
|
3.3
|
73.3
|
1.0
|
ND2
|
E:ASN61
|
3.4
|
77.6
|
1.0
|
H122
|
E:XQY301
|
3.4
|
83.4
|
1.0
|
H121
|
E:XQY301
|
3.4
|
83.4
|
1.0
|
HB2
|
E:ASP60
|
3.5
|
70.6
|
1.0
|
C
|
E:GLN139
|
3.6
|
67.3
|
1.0
|
C12
|
E:XQY301
|
3.7
|
69.2
|
1.0
|
P13
|
E:XQY301
|
3.8
|
91.7
|
1.0
|
CG
|
E:ASP60
|
3.8
|
55.2
|
1.0
|
OD2
|
E:ASP60
|
3.8
|
50.4
|
1.0
|
O
|
E:ASP60
|
3.8
|
58.7
|
1.0
|
CA
|
E:ASP140
|
4.1
|
71.1
|
1.0
|
OD1
|
E:ASP60
|
4.1
|
60.7
|
1.0
|
CB
|
E:ASP60
|
4.2
|
58.5
|
1.0
|
N
|
E:ASP140
|
4.2
|
74.5
|
1.0
|
HD22
|
E:ASN61
|
4.2
|
93.5
|
1.0
|
C
|
E:ASP60
|
4.3
|
60.9
|
1.0
|
CG
|
E:ASP140
|
4.4
|
77.6
|
1.0
|
CG
|
E:GLU138
|
4.4
|
71.8
|
1.0
|
HD22
|
E:LEU64
|
4.5
|
50.2
|
1.0
|
CB
|
E:ASN61
|
4.5
|
72.7
|
1.0
|
H
|
E:GLN139
|
4.6
|
77.0
|
1.0
|
HA
|
E:ASN61
|
4.6
|
85.2
|
1.0
|
O14
|
E:XQY301
|
4.6
|
76.6
|
1.0
|
N
|
E:GLN139
|
4.7
|
63.8
|
1.0
|
CA
|
E:GLN139
|
4.7
|
59.3
|
1.0
|
HG3
|
E:GLU138
|
4.7
|
86.5
|
1.0
|
N
|
E:ASN61
|
4.7
|
75.8
|
1.0
|
HG2
|
E:GLU138
|
4.8
|
86.5
|
1.0
|
CA
|
E:CA302
|
4.8
|
57.1
|
1.0
|
CB
|
E:ASP140
|
4.8
|
79.6
|
1.0
|
O15
|
E:XQY301
|
4.8
|
78.1
|
1.0
|
CA
|
E:ASP60
|
4.9
|
60.8
|
1.0
|
CA
|
E:ASN61
|
4.9
|
70.7
|
1.0
|
H072
|
E:XQY301
|
4.9
|
91.5
|
1.0
|
HB3
|
E:ASP60
|
4.9
|
70.6
|
1.0
|
HD13
|
E:LEU64
|
4.9
|
63.5
|
1.0
|
HB2
|
E:ASN61
|
5.0
|
87.6
|
1.0
|
H
|
E:ASP140
|
5.0
|
89.7
|
1.0
|
|
Reference:
K.S.C.T.Shing,
C.J.Morton,
M.W.Parker.
Pentraxin - Ligand Complex To Be Published.
Page generated: Fri Jul 19 04:22:35 2024
|