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AADAT_HUMAN_1_425

Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial [Class-I pyridoxal-phosphate-dependent aminotransferase family]

Composition of the binding site

Protein chains homodimer
A1 (AADAT_HUMAN):18:20, 22, 37:40, 74, 116:118, 121, 142, 143, 197, 202, 230, 232, 233, 260, 262, 263, 270, 293, 354, 355, 382, 386, 387, 39918:20, 22, 37:40, 74, 116:118, 121, 142, 143, 197, 202, 230, 232, 233, 260, 262, 263, 270, 293, 354, 355, 382, 386, 387, 399
A2 (AADAT_HUMAN):17:24, 33:35, 37:41, 74:77, 142, 202, 289, 293, 294, 355, 382, 39917:24, 33:35, 37:41, 74:77, 142, 202, 289, 293, 294, 355, 382, 399

Full PDB list

2qlr, 2r2n, 2vgz, 2xh1, 3dc1, 3ue8, 4gdy, 4ge4, 4ge7, 4ge9, 4geb, 5efs, 5eun, 5tf5 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
I
1
9
G
3
9
L
4
0
Y
7
4
G
1
1
6
S
1
1
7
Q
1
1
8
L
1
2
1
Y
1
4
2
S
1
4
3
V
1
9
7
N
2
0
2
D
2
3
0
P
2
3
2
Y
2
3
3
S
2
6
0
S
2
6
2
K
2
6
3
R
2
7
0
M
3
5
4
F
3
5
5
L
3
8
2
F
3
8
7
R
3
9
9
P
1
8
I
1
9
R
2
0
T
2
1
M
2
2
T
2
3
M
3
3
G
3
8
G
3
9
L
4
0
P
4
1
Y
7
4
S
7
5
P
7
6
S
7
7
N
2
0
2
Q
2
8
9
L
2
9
3
H
2
9
4
R
3
9
9
[1]2qlr.a plp15 . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2r2n.d kyn.kyn,pmp46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2xh1.b bf5.plp41 . . . . . . . . . . . . . . . . . . . . . . . . . . - - - - . . . . . . . . . . . . . .
[1]3ue8.a 09m28 - . . . . . . . . . . . . . . . . . . . . . . . - - - - - - . . . . . . . . . . . . . .
[1]4gdy.a 0x137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ge4.a 0ke30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ge7.a 0k535 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ge9.c 0l037 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4geb.a 0ld33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5efs.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5tf5.b 7ar,plp39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
P
1
8
I
1
9
R
2
0
M
2
2
A
3
7
G
3
8
G
3
9
L
4
0
Y
7
4
G
1
1
6
S
1
1
7
Q
1
1
8
L
1
2
1
Y
1
4
2
S
1
4
3
V
1
9
7
N
2
0
2
D
2
3
0
P
2
3
2
Y
2
3
3
S
2
6
0
S
2
6
2
K
2
6
3
R
2
7
0
L
2
9
3
M
3
5
4
F
3
5
5
L
3
8
2
A
3
8
6
F
3
8
7
R
3
9
9
S
1
7
P
1
8
I
1
9
R
2
0
T
2
1
M
2
2
T
2
3
D
2
4
M
3
3
I
3
4
S
3
5
A
3
7
G
3
8
G
3
9
L
4
0
P
4
1
Y
7
4
S
7
5
P
7
6
S
7
7
Y
1
4
2
N
2
0
2
Q
2
8
9
L
2
9
3
H
2
9
4
F
3
5
5
L
3
8
2
R
3
9
9
[1]2qlr.a . * . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2r2n.d . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2xh1.b . . - - . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . - - - - - . . . . . . . . . . . . . . . . . . . .
[1]3ue8.a - - - - . . . . . . . . . . . . . . . . . . * . . . . . . . . . - - - - - - - . . . . . * . . . . . . . . . . . . . .
[1]4gdy.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . * . . . . . . . . . . . . . . . . . . .
[1]4ge4.a . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]4ge7.a . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ge9.c . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * . . . . . . . . . . . . . . . . . . . . . . . .
[1]4geb.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5efs.a . * . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5tf5.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
2qlr.a:plp
2r2n.d:kyn.kyn,pmp
2xh1.b:bf5.plp
3ue8.a:09m
4gdy.a:0x1
4ge4.a:0ke
4ge7.a:0k5
4ge9.c:0l0
4geb.a:0ld
5efs.a is apo
5tf5.b:7ar,plp
[1] 2qlr.a
1.0
5.9 4.2 2.8 4.0 2.3 3.1 3.5 2.9 - 1.8
[1] 2r2n.d 1.0
0.1
0.5 0.3 0.4 0.2 0.5 0.6 0.1 - 3.9
[1] 2xh1.b 1.2 0.1
0.1
0.6 0.5 0.3 0.5 0.7 0 - 1.9
[1] 3ue8.a 1.2 0.6 0.2
0.2
0.4 0.2 0.3 0.5 0.2 - 2.8
[1] 4gdy.a 0.9 0.6 3.1 0.5
0
0.6 0.3 0.9 1.1 - 3.4
[1] 4ge4.a 1.5 0.4 0.4 0.4 0.5
0
0.4 0.9 0.3 - 3.7
[1] 4ge7.a 0.8 0.5 0.4 0.3 0.6 0.1
0.2
0.1 0.2 - 3.0
[1] 4ge9.c 0.8 1.3 3.4 0.4 0.4 0.5 0.1
0
1.0 - 5.6
[1] 4geb.a 1.2 0.3 0.6 0.5 0.5 0.3 0.2 0.2
0
- 2.3
[1] 5efs.a 0.7 2.9 2.6 1.4 2.0 1.0 1.5 2.0 1.2
-
2.6
[1] 5tf5.b 1.5 5.2 3.3 1.3 2.5 1.3 1.8 2.9 1.7 -
1.5
[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
2qlr.a
2r2n.d
2xh1.b
3ue8.a
4gdy.a
4ge4.a
4ge7.a
4ge9.c
4geb.a
5efs.a
5tf5.b
[1] 2qlr.a
0
.08 .12 .15 .13 .14 .14 .14 .13 .08 .06
[1] 2r2n.d .08
0
.05 .09 .07 .09 .08 .10 .07 .05 .09
[1] 2xh1.b .12 .05
0
.06 .09 .05 .04 .14 .03 .08 .11
[1] 3ue8.a .15 .09 .06
0
.13 .04 .05 .15 .04 .10 .15
[1] 4gdy.a .13 .07 .09 .13
0
.13 .11 .15 .10 .09 .12
[1] 4ge4.a .14 .09 .05 .04 .13
0
.04 .14 .03 .10 .13
[1] 4ge7.a .14 .08 .04 .05 .11 .04
0
.12 .02 .10 .12
[1] 4ge9.c .14 .10 .14 .15 .15 .14 .12
0
.12 .13 .15
[1] 4geb.a .13 .07 .03 .04 .10 .03 .02 .12
0
.08 .13
[1] 5efs.a .08 .05 .08 .10 .09 .10 .10 .13 .08
0
.06
[1] 5tf5.b .06 .09 .11 .15 .12 .13 .12 .15 .13 .06
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.9 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
2qlr.a
2r2n.d
2xh1.b
3ue8.a
4gdy.a
4ge4.a
4ge7.a
4ge9.c
4geb.a
5efs.a
5tf5.b
[1] 2qlr.a
0
1.8 2.1 1.1 3.6 2.4 2.2 2.1 2.2 1.2 0.7
[1] 2r2n.d 1.8
0
0.9 0.8 3.4 1.6 1.3 1.1 1.4 1.2 1.7
[1] 2xh1.b 2.1 0.9
0
0.8 2.8 1.4 1.3 1.0 1.4 1.6 2.0
[1] 3ue8.a 1.1 0.8 0.8
0
2.7 0.7 0.6 0.6 0.7 1.0 1.1
[1] 4gdy.a 3.6 3.4 2.8 2.7
0
3.4 3.3 3.2 3.4 3.6 3.5
[1] 4ge4.a 2.4 1.6 1.4 0.7 3.4
0
0.9 1.2 1.0 1.8 2.2
[1] 4ge7.a 2.2 1.3 1.3 0.6 3.3 0.9
0
1.2 0.4 1.5 2.0
[1] 4ge9.c 2.1 1.1 1.0 0.6 3.2 1.2 1.2
0
1.4 1.4 1.9
[1] 4geb.a 2.2 1.4 1.4 0.7 3.4 1.0 0.4 1.4
0
1.5 2.0
[1] 5efs.a 1.2 1.2 1.6 1.0 3.6 1.8 1.5 1.4 1.5
0
1.1
[1] 5tf5.b 0.7 1.7 2.0 1.1 3.5 2.2 2.0 1.9 2.0 1.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.4 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
2qlr.a
2r2n.d
2xh1.b
3ue8.a
4gdy.a
4ge4.a
4ge7.a
4ge9.c
4geb.a
5efs.a
5tf5.b
[1] 2qlr.a
0
2.5 2.4 1.2 4.0 3.1 2.9 2.9 2.9 2.3 1.3
[1] 2r2n.d 2.5
0
1.1 1.1 3.7 2.0 2.0 1.6 2.1 1.8 2.2
[1] 2xh1.b 2.4 1.1
0
1.1 3.0 1.6 1.5 1.3 1.6 1.9 2.3
[1] 3ue8.a 1.2 1.1 1.1
0
2.8 0.8 0.8 0.8 0.8 1.3 1.3
[1] 4gdy.a 4.0 3.7 3.0 2.8
0
3.7 3.7 3.6 3.8 4.0 4.0
[1] 4ge4.a 3.1 2.0 1.6 0.8 3.7
0
1.1 1.8 1.2 2.0 2.8
[1] 4ge7.a 2.9 2.0 1.5 0.8 3.7 1.1
0
2.0 0.4 1.9 2.6
[1] 4ge9.c 2.9 1.6 1.3 0.8 3.6 1.8 2.0
0
2.1 1.9 2.7
[1] 4geb.a 2.9 2.1 1.6 0.8 3.8 1.2 0.4 2.1
0
1.9 2.6
[1] 5efs.a 2.3 1.8 1.9 1.3 4.0 2.0 1.9 1.9 1.9
0
2.2
[1] 5tf5.b 1.3 2.2 2.3 1.3 4.0 2.8 2.6 2.7 2.6 2.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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