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COAD_BURP1_1_166

Phosphopantetheine adenylyltransferase [Bacterial CoaD family]

Composition of the binding site

Protein chains monomer
A1 (COAD_BURP1):6:10, 16, 17, 20, 36, 41, 69, 71:73, 87, 88, 90, 97, 98, 101, 105, 119, 123, 1266:10, 16, 17, 20, 36, 41, 69, 71:73, 87, 88, 90, 97, 98, 101, 105, 119, 123, 126

Full PDB list

3k9w, 3pxu

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
6
P
7
G
8
T
9
F
1
0
G
1
6
H
1
7
L
2
0
A
3
6
K
4
1
F
6
9
G
7
1
L
7
2
L
7
3
R
8
7
G
8
8
R
9
0
Y
9
7
E
9
8
M
1
0
1
N
1
0
5
P
1
1
9
Y
1
2
3
I
1
2
6
[1]3k9w.a 4ps,ade36 . . . . . . . . . . . . . . . . . . . . . . . .
[1]3pxu.a cod44 . . . . . . . . . . . . . . . . . . . . . . . .

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
Y
6
P
7
G
8
T
9
F
1
0
G
1
6
H
1
7
L
2
0
A
3
6
K
4
1
F
6
9
G
7
1
L
7
2
L
7
3
R
8
7
G
8
8
R
9
0
Y
9
7
E
9
8
M
1
0
1
N
1
0
5
P
1
1
9
Y
1
2
3
I
1
2
6
[1]3k9w.a . . . . . . . . . . . . . . . . . . . . . . . .
[1]3pxu.a . . . . . . . . . . . . . . . . . . . . . . . .

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
3k9w.a:4ps,ade
3pxu.a:cod
[1] 3k9w.a
0.1
0.2
[1] 3pxu.a 0.2
0.1
[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
3k9w.a
3pxu.a
[1] 3k9w.a
0
.01
[1] 3pxu.a .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.3 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
3k9w.a
3pxu.a
[1] 3k9w.a
0
0.3
[1] 3pxu.a 0.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 Å)

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

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
3k9w.a
3pxu.a
[1] 3k9w.a
0
0.7
[1] 3pxu.a 0.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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