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BAUA_PSEAE_1_448

Beta-alanine--pyruvate aminotransferase [Class-III pyridoxal-phosphate-dependent aminotransferase family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (BAUA_PSEAE):R: Pyridoxal phosphate binding (120, 121)
60, 61, 119, 153:155, 226, 230, 231, 259, 261, 262, 288, 414, 421
60, 61, 119:121, 153:155, 226, 230, 231, 259, 261, 262, 288, 414, 421
A2 (BAUA_PSEAE):89, 326, 32789, 326, 327

Full PDB list

4b98, 4b9b, 4bq0 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
L
6
0
W
6
1
S
1
1
9
G
1
2
0
S
1
2
1
Y
1
5
3
H
1
5
4
G
1
5
5
E
2
2
6
S
2
3
1
D
2
5
9
V
2
6
1
I
2
6
2
K
2
8
8
R
4
1
4
Q
4
2
1
F
8
9
Y
3
2
6
T
3
2
7
[1]4b98.a pxg25 . . . . . . . . . . . . . . . . . . .
[1]4bq0.b plp16 . . . . . . . . . . . . . . . . . . .

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

[download in TSV format]
   
PDB.ch
A1 A2
L
6
0
W
6
1
S
1
1
9
G
1
2
0
S
1
2
1
Y
1
5
3
H
1
5
4
G
1
5
5
E
2
2
6
G
2
3
0
S
2
3
1
D
2
5
9
V
2
6
1
I
2
6
2
K
2
8
8
R
4
1
4
Q
4
2
1
F
8
9
Y
3
2
6
T
3
2
7
[1]4b98.a . . . . . . . . . . . . . . . . . . . .
[1]4bq0.b . . . . . . . . . . . . . . . . . . . .

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
4b98.a:pxg
4bq0.b:plp
[1] 4b98.a
0.3
0
[1] 4bq0.b 0.4
0.2
[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
4b98.a
4bq0.b
[1] 4b98.a
0
.01
[1] 4bq0.b .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
4b98.a
4bq0.b
[1] 4b98.a
0
0.1
[1] 4bq0.b 0.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.1 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
4b98.a
4bq0.b
[1] 4b98.a
0
0.5
[1] 4bq0.b 0.5
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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