Calcium in PDB 3cqo: Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum
Protein crystallography data
The structure of Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum, PDB code: 3cqo
was solved by
M.A.Bianchet,
L.M.Amzel,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
41.15 /
2.32
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
88.135,
88.135,
230.169,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.4 /
24.5
|
Other elements in 3cqo:
The structure of Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum
(pdb code 3cqo). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the
Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum, PDB code: 3cqo:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
Calcium binding site 1 out
of 6 in 3cqo
Go back to
Calcium Binding Sites List in 3cqo
Calcium binding site 1 out
of 6 in the Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca4001
b:21.4
occ:1.00
|
OE1
|
A:GLU140
|
2.2
|
22.0
|
1.0
|
O
|
A:CYS139
|
2.3
|
19.8
|
1.0
|
O
|
A:ASN32
|
2.4
|
22.5
|
1.0
|
O
|
A:SER41
|
2.4
|
20.1
|
1.0
|
O
|
A:ASN27
|
2.4
|
19.2
|
1.0
|
OD1
|
A:ASP30
|
2.5
|
23.2
|
1.0
|
OG
|
A:SER41
|
2.5
|
16.2
|
1.0
|
CG
|
A:ASP30
|
3.4
|
24.7
|
1.0
|
CD
|
A:GLU140
|
3.4
|
21.2
|
1.0
|
C
|
A:CYS139
|
3.5
|
18.8
|
1.0
|
C
|
A:SER41
|
3.5
|
19.1
|
1.0
|
C
|
A:ASN32
|
3.5
|
23.4
|
1.0
|
CB
|
A:SER41
|
3.6
|
17.1
|
1.0
|
C
|
A:ASN27
|
3.6
|
19.9
|
1.0
|
OD2
|
A:ASP30
|
3.8
|
23.3
|
1.0
|
CA
|
A:SER41
|
4.0
|
18.8
|
1.0
|
N
|
A:ASN32
|
4.1
|
24.1
|
1.0
|
CB
|
A:GLU140
|
4.1
|
16.7
|
1.0
|
CA
|
A:ASN32
|
4.2
|
23.7
|
1.0
|
CB
|
A:ASN32
|
4.2
|
24.3
|
1.0
|
CA
|
A:GLU140
|
4.2
|
17.9
|
1.0
|
CA
|
A:ALA28
|
4.3
|
19.4
|
1.0
|
N
|
A:GLU140
|
4.3
|
18.3
|
1.0
|
OE2
|
A:GLU140
|
4.3
|
22.6
|
1.0
|
CG
|
A:GLU140
|
4.3
|
18.1
|
1.0
|
N
|
A:ALA28
|
4.4
|
19.3
|
1.0
|
CA
|
A:CYS139
|
4.5
|
20.3
|
1.0
|
C
|
A:ALA28
|
4.5
|
19.7
|
1.0
|
CA
|
A:ASN27
|
4.6
|
20.0
|
1.0
|
N
|
A:ARG33
|
4.6
|
23.9
|
1.0
|
N
|
A:CYS42
|
4.6
|
19.7
|
1.0
|
N
|
A:ASP30
|
4.6
|
19.3
|
1.0
|
CB
|
A:ASP30
|
4.7
|
20.8
|
1.0
|
O
|
A:ALA28
|
4.8
|
19.1
|
1.0
|
CB
|
A:ASN27
|
4.9
|
19.3
|
1.0
|
CA
|
A:ARG33
|
4.9
|
24.8
|
1.0
|
N
|
A:ILE29
|
5.0
|
18.7
|
1.0
|
N
|
A:GLY31
|
5.0
|
19.4
|
1.0
|
|
Calcium binding site 2 out
of 6 in 3cqo
Go back to
Calcium Binding Sites List in 3cqo
Calcium binding site 2 out
of 6 in the Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca4004
b:24.4
occ:1.00
|
O
|
A:CYS283
|
2.3
|
26.3
|
1.0
|
OD1
|
A:ASP176
|
2.3
|
25.7
|
1.0
|
O
|
A:ASN178
|
2.4
|
20.6
|
1.0
|
O
|
A:ASN173
|
2.4
|
21.8
|
1.0
|
OE1
|
A:GLU284
|
2.4
|
20.7
|
1.0
|
OG
|
A:SER187
|
2.4
|
20.4
|
1.0
|
O
|
A:SER187
|
2.5
|
25.6
|
1.0
|
CG
|
A:ASP176
|
3.3
|
24.6
|
1.0
|
C
|
A:CYS283
|
3.5
|
25.4
|
1.0
|
C
|
A:ASN178
|
3.5
|
23.4
|
1.0
|
OD2
|
A:ASP176
|
3.5
|
23.2
|
1.0
|
CB
|
A:SER187
|
3.5
|
21.8
|
1.0
|
C
|
A:SER187
|
3.6
|
24.6
|
1.0
|
C
|
A:ASN173
|
3.6
|
20.6
|
1.0
|
CD
|
A:GLU284
|
3.7
|
23.6
|
1.0
|
CA
|
A:SER187
|
4.1
|
23.9
|
1.0
|
N
|
A:ASN178
|
4.2
|
23.3
|
1.0
|
CB
|
A:GLU284
|
4.2
|
22.5
|
1.0
|
CA
|
A:ASN178
|
4.2
|
22.9
|
1.0
|
CB
|
A:ASN178
|
4.3
|
23.2
|
1.0
|
CA
|
A:GLU284
|
4.3
|
23.3
|
1.0
|
N
|
A:GLU284
|
4.3
|
24.3
|
1.0
|
CA
|
A:ALA174
|
4.4
|
20.7
|
1.0
|
CA
|
A:CYS283
|
4.4
|
26.0
|
1.0
|
N
|
A:ALA174
|
4.5
|
21.1
|
1.0
|
CG
|
A:GLU284
|
4.5
|
20.7
|
1.0
|
OE2
|
A:GLU284
|
4.5
|
22.8
|
1.0
|
CA
|
A:ASN173
|
4.6
|
19.3
|
1.0
|
N
|
A:ASP176
|
4.6
|
22.9
|
1.0
|
CB
|
A:ASP176
|
4.6
|
23.7
|
1.0
|
N
|
A:GLN179
|
4.6
|
24.6
|
1.0
|
C
|
A:ALA174
|
4.6
|
21.2
|
1.0
|
N
|
A:CYS188
|
4.8
|
26.1
|
1.0
|
CA
|
A:GLN179
|
4.9
|
25.5
|
1.0
|
CB
|
A:ASN173
|
4.9
|
17.4
|
1.0
|
N
|
A:ILE175
|
5.0
|
21.1
|
1.0
|
O
|
A:ALA174
|
5.0
|
21.6
|
1.0
|
|
Calcium binding site 3 out
of 6 in 3cqo
Go back to
Calcium Binding Sites List in 3cqo
Calcium binding site 3 out
of 6 in the Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca4002
b:21.0
occ:1.00
|
O
|
B:CYS139
|
2.2
|
24.1
|
1.0
|
O
|
B:ASN32
|
2.3
|
26.1
|
1.0
|
OE1
|
B:GLU140
|
2.4
|
19.4
|
1.0
|
O
|
B:ASN27
|
2.4
|
21.2
|
1.0
|
OG
|
B:SER41
|
2.4
|
21.8
|
1.0
|
O
|
B:SER41
|
2.5
|
21.5
|
1.0
|
OD1
|
B:ASP30
|
2.5
|
17.4
|
1.0
|
CG
|
B:ASP30
|
3.4
|
19.8
|
1.0
|
C
|
B:CYS139
|
3.4
|
23.9
|
1.0
|
C
|
B:ASN32
|
3.5
|
23.9
|
1.0
|
CD
|
B:GLU140
|
3.5
|
21.6
|
1.0
|
C
|
B:SER41
|
3.5
|
22.2
|
1.0
|
CB
|
B:SER41
|
3.6
|
20.6
|
1.0
|
C
|
B:ASN27
|
3.6
|
19.7
|
1.0
|
OD2
|
B:ASP30
|
3.7
|
21.3
|
1.0
|
CB
|
B:GLU140
|
3.9
|
22.5
|
1.0
|
CA
|
B:SER41
|
4.0
|
21.3
|
1.0
|
CA
|
B:GLU140
|
4.1
|
21.7
|
1.0
|
N
|
B:ASN32
|
4.1
|
19.1
|
1.0
|
N
|
B:GLU140
|
4.2
|
22.1
|
1.0
|
CA
|
B:ASN32
|
4.3
|
21.0
|
1.0
|
CG
|
B:GLU140
|
4.3
|
20.5
|
1.0
|
CA
|
B:ALA28
|
4.3
|
20.1
|
1.0
|
CB
|
B:ASN32
|
4.4
|
21.8
|
1.0
|
N
|
B:ALA28
|
4.4
|
20.4
|
1.0
|
OE2
|
B:GLU140
|
4.4
|
21.1
|
1.0
|
CA
|
B:CYS139
|
4.5
|
25.3
|
1.0
|
N
|
B:ARG33
|
4.5
|
25.2
|
1.0
|
C
|
B:ALA28
|
4.5
|
19.5
|
1.0
|
CA
|
B:ASN27
|
4.6
|
19.7
|
1.0
|
CB
|
B:ASP30
|
4.7
|
17.3
|
1.0
|
N
|
B:ASP30
|
4.7
|
16.4
|
1.0
|
N
|
B:CYS42
|
4.7
|
22.0
|
1.0
|
CA
|
B:ARG33
|
4.7
|
24.8
|
1.0
|
CB
|
B:ASN27
|
4.8
|
18.1
|
1.0
|
O
|
B:ALA28
|
4.8
|
19.1
|
1.0
|
|
Calcium binding site 4 out
of 6 in 3cqo
Go back to
Calcium Binding Sites List in 3cqo
Calcium binding site 4 out
of 6 in the Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca4006
b:27.5
occ:1.00
|
OG
|
B:SER187
|
2.1
|
24.3
|
1.0
|
O
|
B:CYS283
|
2.3
|
27.0
|
1.0
|
OD1
|
B:ASP176
|
2.4
|
24.9
|
1.0
|
O
|
B:ASN173
|
2.4
|
23.6
|
1.0
|
O
|
B:ASN178
|
2.4
|
29.2
|
1.0
|
OE1
|
B:GLU284
|
2.5
|
22.5
|
1.0
|
O
|
B:SER187
|
2.5
|
30.5
|
1.0
|
CG
|
B:ASP176
|
3.3
|
24.7
|
1.0
|
CB
|
B:SER187
|
3.4
|
28.1
|
1.0
|
OD2
|
B:ASP176
|
3.5
|
26.3
|
1.0
|
C
|
B:SER187
|
3.5
|
30.0
|
1.0
|
C
|
B:CYS283
|
3.5
|
27.3
|
1.0
|
C
|
B:ASN173
|
3.6
|
24.0
|
1.0
|
C
|
B:ASN178
|
3.6
|
28.0
|
1.0
|
CD
|
B:GLU284
|
3.7
|
23.2
|
1.0
|
CA
|
B:SER187
|
3.9
|
28.7
|
1.0
|
N
|
B:ASN178
|
4.2
|
26.5
|
1.0
|
CB
|
B:GLU284
|
4.2
|
25.2
|
1.0
|
CA
|
B:ASN178
|
4.2
|
26.7
|
1.0
|
CB
|
B:ASN178
|
4.3
|
25.9
|
1.0
|
CA
|
B:ALA174
|
4.3
|
23.5
|
1.0
|
CA
|
B:GLU284
|
4.4
|
24.8
|
1.0
|
N
|
B:GLU284
|
4.4
|
25.3
|
1.0
|
N
|
B:ALA174
|
4.4
|
24.4
|
1.0
|
CA
|
B:CYS283
|
4.5
|
29.2
|
1.0
|
CG
|
B:GLU284
|
4.5
|
22.8
|
1.0
|
CA
|
B:ASN173
|
4.5
|
24.0
|
1.0
|
OE2
|
B:GLU284
|
4.6
|
23.1
|
1.0
|
CB
|
B:ASP176
|
4.6
|
21.1
|
1.0
|
C
|
B:ALA174
|
4.6
|
22.7
|
1.0
|
N
|
B:GLN179
|
4.7
|
29.5
|
1.0
|
N
|
B:ASP176
|
4.7
|
20.0
|
1.0
|
N
|
B:CYS188
|
4.7
|
29.9
|
1.0
|
CB
|
B:ASN173
|
4.8
|
25.6
|
1.0
|
O
|
B:ALA174
|
4.9
|
22.5
|
1.0
|
CG
|
B:ASN178
|
4.9
|
24.6
|
1.0
|
CA
|
B:GLN179
|
4.9
|
30.7
|
1.0
|
|
Calcium binding site 5 out
of 6 in 3cqo
Go back to
Calcium Binding Sites List in 3cqo
Calcium binding site 5 out
of 6 in the Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca4003
b:17.1
occ:1.00
|
OE1
|
C:GLU140
|
2.3
|
19.7
|
1.0
|
O
|
C:ASN27
|
2.3
|
17.3
|
1.0
|
OD1
|
C:ASP30
|
2.4
|
26.7
|
1.0
|
O
|
C:SER41
|
2.4
|
18.6
|
1.0
|
O
|
C:ASN32
|
2.4
|
22.1
|
1.0
|
O
|
C:CYS139
|
2.4
|
21.7
|
1.0
|
OG
|
C:SER41
|
2.6
|
18.9
|
1.0
|
CG
|
C:ASP30
|
3.3
|
25.0
|
1.0
|
C
|
C:ASN27
|
3.5
|
17.6
|
1.0
|
C
|
C:SER41
|
3.5
|
18.8
|
1.0
|
CD
|
C:GLU140
|
3.5
|
19.6
|
1.0
|
C
|
C:ASN32
|
3.6
|
23.1
|
1.0
|
C
|
C:CYS139
|
3.6
|
22.1
|
1.0
|
CB
|
C:SER41
|
3.7
|
18.1
|
1.0
|
OD2
|
C:ASP30
|
3.7
|
23.2
|
1.0
|
CA
|
C:SER41
|
4.0
|
18.7
|
1.0
|
N
|
C:ASN32
|
4.1
|
21.8
|
1.0
|
CB
|
C:GLU140
|
4.1
|
20.6
|
1.0
|
CA
|
C:ASN32
|
4.2
|
22.1
|
1.0
|
CB
|
C:ASN32
|
4.2
|
21.5
|
1.0
|
CA
|
C:GLU140
|
4.2
|
22.6
|
1.0
|
CA
|
C:ALA28
|
4.3
|
18.8
|
1.0
|
N
|
C:ALA28
|
4.3
|
17.3
|
1.0
|
N
|
C:GLU140
|
4.3
|
21.9
|
1.0
|
OE2
|
C:GLU140
|
4.4
|
20.7
|
1.0
|
CG
|
C:GLU140
|
4.4
|
18.4
|
1.0
|
C
|
C:ALA28
|
4.5
|
18.8
|
1.0
|
CA
|
C:ASN27
|
4.5
|
18.7
|
1.0
|
N
|
C:ASP30
|
4.5
|
20.8
|
1.0
|
CB
|
C:ASP30
|
4.6
|
21.0
|
1.0
|
CA
|
C:CYS139
|
4.6
|
22.9
|
1.0
|
N
|
C:CYS42
|
4.6
|
19.5
|
1.0
|
N
|
C:ARG33
|
4.7
|
23.2
|
1.0
|
CB
|
C:ASN27
|
4.7
|
18.5
|
1.0
|
O
|
C:ALA28
|
4.8
|
20.2
|
1.0
|
N
|
C:ILE29
|
4.8
|
18.9
|
1.0
|
N
|
C:GLY31
|
4.9
|
22.0
|
1.0
|
CA
|
C:ASP30
|
5.0
|
20.3
|
1.0
|
CA
|
C:ARG33
|
5.0
|
23.3
|
1.0
|
|
Calcium binding site 6 out
of 6 in 3cqo
Go back to
Calcium Binding Sites List in 3cqo
Calcium binding site 6 out
of 6 in the Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of A F-Lectin (Fucolectin) From Morone Saxatilis (Striped Bass) Serum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca4005
b:25.5
occ:1.00
|
O
|
C:ASN173
|
2.3
|
24.0
|
1.0
|
O
|
C:CYS283
|
2.3
|
27.4
|
1.0
|
OD1
|
C:ASP176
|
2.4
|
23.6
|
1.0
|
O
|
C:ASN178
|
2.4
|
25.8
|
1.0
|
OE1
|
C:GLU284
|
2.4
|
33.6
|
1.0
|
OG
|
C:SER187
|
2.5
|
22.1
|
1.0
|
O
|
C:SER187
|
2.5
|
21.6
|
1.0
|
CG
|
C:ASP176
|
3.4
|
21.8
|
1.0
|
C
|
C:CYS283
|
3.4
|
25.4
|
1.0
|
CB
|
C:SER187
|
3.5
|
22.8
|
1.0
|
C
|
C:ASN173
|
3.5
|
23.2
|
1.0
|
C
|
C:SER187
|
3.6
|
22.8
|
1.0
|
C
|
C:ASN178
|
3.6
|
24.9
|
1.0
|
CD
|
C:GLU284
|
3.6
|
33.5
|
1.0
|
OD2
|
C:ASP176
|
3.8
|
22.1
|
1.0
|
CA
|
C:SER187
|
4.0
|
22.2
|
1.0
|
CB
|
C:GLU284
|
4.1
|
27.5
|
1.0
|
CA
|
C:GLU284
|
4.2
|
25.3
|
1.0
|
CA
|
C:ALA174
|
4.2
|
22.5
|
1.0
|
N
|
C:GLU284
|
4.2
|
25.1
|
1.0
|
N
|
C:ASN178
|
4.2
|
23.4
|
1.0
|
N
|
C:ALA174
|
4.3
|
23.3
|
1.0
|
CA
|
C:ASN178
|
4.3
|
23.2
|
1.0
|
CG
|
C:GLU284
|
4.4
|
30.1
|
1.0
|
CA
|
C:CYS283
|
4.4
|
25.2
|
1.0
|
C
|
C:ALA174
|
4.4
|
23.6
|
1.0
|
CB
|
C:ASN178
|
4.5
|
23.3
|
1.0
|
CA
|
C:ASN173
|
4.5
|
23.8
|
1.0
|
OE2
|
C:GLU284
|
4.6
|
34.1
|
1.0
|
N
|
C:ASP176
|
4.6
|
22.8
|
1.0
|
CB
|
C:ASP176
|
4.6
|
21.3
|
1.0
|
N
|
C:GLN179
|
4.7
|
25.5
|
1.0
|
O
|
C:ALA174
|
4.7
|
25.0
|
1.0
|
CB
|
C:ASN173
|
4.7
|
22.2
|
1.0
|
N
|
C:CYS188
|
4.8
|
22.7
|
1.0
|
CA
|
C:GLN179
|
4.9
|
25.4
|
1.0
|
N
|
C:ILE175
|
4.9
|
24.9
|
1.0
|
|
Reference:
M.A.Bianchet,
E.W.Odom,
G.R.Vasta,
L.M.Amzel.
Structure and Specificity of A Binary Tandem Domain F-Lectin From Striped Bass (Morone Saxatilis). J.Mol.Biol. V. 401 239 2010.
ISSN: ISSN 0022-2836
PubMed: 20561530
DOI: 10.1016/J.JMB.2010.06.018
Page generated: Sat Jul 13 08:44:18 2024
|