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COTA_BACSU_1_513

Spore coat protein A

Composition of the binding site

Protein chains monomer
A1 (COTA_BACSU):226, 227, 229, 260, 321:323, 376, 377, 384, 386, 415:417, 419, 497226, 227, 229, 260, 321:323, 376, 377, 384, 386, 415:417, 419, 497
Metals (Me):Cu

Full PDB list

1gsk, 1of0, 1w6l, 1w6w, 1w8e, 2bhf, 2wsd, 2x87, 2x88, 3zdw, 4a66, 4a67, 4a68, 4ako, 4akp, 4akq, 4q89, 4q8b, 4yvn, 4yvu (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
P
2
2
6
A
2
2
7
C
2
2
9
G
3
2
3
G
3
7
6
T
3
7
7
P
3
8
4
L
3
8
6
T
4
1
5
R
4
1
6
G
4
1
7
H
4
1
9
H
4
9
7
[1]3zdw.a ebs32 . . . . . . . . . . . . . Cu
[1]4q89.a none . . . . . . . . . . . . . Cu
[1]4q8b.b sxx16 . . . . . . . . . . . . . Cu

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

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PDB.ch
A1 Me
P
2
2
6
A
2
2
7
C
2
2
9
T
2
6
0
G
3
2
1
C
3
2
2
G
3
2
3
G
3
7
6
T
3
7
7
P
3
8
4
L
3
8
6
T
4
1
5
R
4
1
6
G
4
1
7
H
4
1
9
H
4
9
7
[1]3zdw.a . . . . . . . . . . . . . . . . Cu
[1]4q89.a . . . . . . . . . . . . . . . . Cu
[1]4q8b.b . . . . . . . . . . . . . . . . Cu

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
3zdw.a:ebs
4q89.a is apo
4q8b.b:sxx
[1] 3zdw.a
0
- 0
[1] 4q89.a 0
-
0
[1] 4q8b.b 0.1 -
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
3zdw.a
4q89.a
4q8b.b
[1] 3zdw.a
0
0 .01
[1] 4q89.a 0
0
.01
[1] 4q8b.b .01 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
3zdw.a
4q89.a
4q8b.b
[1] 3zdw.a
0
0.6 0.6
[1] 4q89.a 0.6
0
0.2
[1] 4q8b.b 0.6 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
3zdw.a
4q89.a
4q8b.b
[1] 3zdw.a
0
0.9 1.1
[1] 4q89.a 0.9
0
1.3
[1] 4q8b.b 1.1 1.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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