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BCAT1_HUMAN_9_386

Branched-chain-amino-acid aminotransferase, cytosolic [Class-IV pyridoxal-phosphate-dependent aminotransferase family]

Composition of the binding site

Protein chains homodimer
A1 (BCAT1_HUMAN):49, 95, 161, 163, 193, 194, 202, 222, 227, 243, 244, 260, 261, 332:335, 33849, 95, 161, 163, 193, 194, 202, 222, 227, 243, 244, 260, 261, 332:335, 338
A2 (BCAT1_HUMAN):90, 173, 17590, 173, 175
Cofactors (cF):plp

Full PDB list

2abj, 2cog, 2coi, 2coj (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2 cF
F
4
9
F
9
5
Y
1
6
1
R
1
6
3
Y
1
9
3
V
2
0
2
K
2
2
2
Y
2
2
7
Q
2
4
3
Q
2
4
4
T
2
6
0
M
2
6
1
G
3
3
2
T
3
3
3
A
3
3
4
C
3
3
5
C
3
3
8
Y
9
0
L
1
7
3
V
1
7
5
[1]2abj.d cbc27 . . . . - . . . . . . . . . . . . . . .
[1]2abj.j cbc27 . . . . . . . . . . . . . . . . . . . . plp
[1]2cog.b 4mv8 . . . . . . . . . . . . . . . . . . . .
[1]2coj.a gbn12 . . . . . . . . . . . . . . . . . . . .

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 cF
F
4
9
F
9
5
Y
1
6
1
R
1
6
3
Y
1
9
3
F
1
9
4
V
2
0
2
K
2
2
2
Y
2
2
7
Q
2
4
3
Q
2
4
4
T
2
6
0
M
2
6
1
G
3
3
2
T
3
3
3
A
3
3
4
C
3
3
5
C
3
3
8
Y
9
0
L
1
7
3
V
1
7
5
[1]2abj.d . . . . - - . . . . . * . . . . . . . . .
[1]2abj.j . . . . . . . . . . . * . . . . . . . . . plp
[1]2cog.b . . . . . * . . . . . . . . . . . . . . .
[1]2coj.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
2abj.d:cbc
2abj.j:cbc
2cog.b:4mv
2coj.a:gbn
[1] 2abj.d
0
0 0 0.6
[1] 2abj.j 0
0
0 0.6
[1] 2cog.b 4.7 4.9
0.1
0.5
[1] 2coj.a 4.4 4.8 0
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
2abj.d
2abj.j
2cog.b
2coj.a
[1] 2abj.d
0
0 .24 .25
[1] 2abj.j 0
0
.24 .25
[1] 2cog.b .24 .24
0
.09
[1] 2coj.a .25 .25 .09
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 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
2abj.d
2abj.j
2cog.b
2coj.a
[1] 2abj.d
0
0.5 0.8 0.5
[1] 2abj.j 0.5
0
2.2 2.3
[1] 2cog.b 0.8 2.2
0
0.6
[1] 2coj.a 0.5 2.3 0.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.6 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
2abj.d
2abj.j
2cog.b
2coj.a
[1] 2abj.d
0
0.5 0.9 0.8
[1] 2abj.j 0.5
0
3.1 3.2
[1] 2cog.b 0.9 3.1
0
0.6
[1] 2coj.a 0.8 3.2 0.6
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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