If you see this message after the page is completely loaded, then JavaScript is not supported or disabled in your browser. Please consider enabling JavaScript for this site.

AK1C2_HUMAN_1_323

Aldo-keto reductase family 1 member C2 [Aldo/keto reductase family]

Composition of the binding site

Protein chains monomer
A1 (AK1C2_HUMAN):24, 27, 54, 55, 86, 117, 118, 127:129, 167, 216, 222, 224, 227, 306, 308, 310, 311, 31924, 27, 54, 55, 86, 117, 118, 127:129, 167, 216, 222, 224, 227, 306, 308, 310, 311, 319
Cofactors (cF):nap

Full PDB list

1ihi, 1j96, 1xjb, 2hdj, 2ipj, 4jq1, 4jq2, 4jq3, 4jq4, 4jqa, 4jtq, 4jtr, 4l1w, 4l1x, 4xo6, 4xo7 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
Y
2
4
V
5
4
Y
5
5
W
8
6
H
1
1
7
F
1
1
8
V
1
2
8
I
1
2
9
Y
2
1
6
H
2
2
2
W
2
2
7
L
3
0
6
L
3
0
8
F
3
1
1
[1]1ihi.a iu528 . . . . . . . . . . . . . . nap
[1]1j96.b tes21 . . . . . . . . . . . . . . nap
[1]1xjb.a none . . . . . . . . . . . . . . nap
[1]2ipj.b ffa21 A . . . . . . . . . . . . . nap
[1]4jq1.a nps17 . . . . . . . . . . . . . . nap
[1]4jq2.a suz25 . . . . . . . . . . . . . . nap
[1]4jq3.a zom20 . . . . . . . . . . . . . . nap
[1]4jq4.a imn25 . . . . . . . . . . . . . . nap
[1]4jqa.a id818 . . . . . . . . . . . . . . nap
[1]4jtq.a flp18 . . . . . . . . . . . . . . nap
[1]4jtr.a ibp15 . . . . . . . . . . . . . . nap
[1]4jtr.b izp15 . . . . . . . . . . . . . . nap
[1]4l1w.a str23 . . . . . . . . . . . . . . nap
[1]4l1x.a str23 . L . . . . . . . . . . . . nap
[1]4xo6.a 5sd21 . . . . . . . . . . . . . . nap
[1]4xo6.b aox21 . . . . . . . . . . . . . . nap
[1]4xo7.a asd21 . . . . . . . . . . . . . . nap

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 cF
Y
2
4
A
2
7
V
5
4
Y
5
5
W
8
6
H
1
1
7
F
1
1
8
E
1
2
7
V
1
2
8
I
1
2
9
N
1
6
7
Y
2
1
6
H
2
2
2
E
2
2
4
W
2
2
7
L
3
0
6
L
3
0
8
I
3
1
0
F
3
1
1
F
3
1
9
[1]1ihi.a . . . . . . . . . . . . . . . . * . . . nap
[1]1j96.b . . . . . . . . . . . . . . . . * . . . nap
[1]1xjb.a . . . . . . . . . * . . . . . * * . . . nap
[1]2ipj.b A . . . . . . . . * . . . . . . . . . . nap
[1]4jq1.a . . . . . . . . . * . . . . * . * . . . nap
[1]4jq2.a . . . . . . . . . . . . . . . . * . . . nap
[1]4jq3.a . . . . . . . . . * . . . . . . . . . . nap
[1]4jq4.a . . . . . . . . . . . . . . . . . . . . nap
[1]4jqa.a . . . . . . . . . * . . . . * . * . . . nap
[1]4jtq.a . . . . . . . . . . . . . . . . * . . . nap
[1]4jtr.a . . . . . . . . . . . . . . . * * . . . nap
[1]4jtr.b . . . . . . . . . * . . . . . . * . . . nap
[1]4l1w.a . . . . . . . . . . . . . . . . * . . . nap
[1]4l1x.a . . L . . . . . . . . . . . . . * . . . nap
[1]4xo6.a . . . . . . . . . . . . . . . . * . . . nap
[1]4xo6.b . . . . . . . . . . . . . . . . * . . . nap
[1]4xo7.a . . . . . . . . . . . . . . . . * . . . nap

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

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

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1ihi.a:iu5
1j96.b:tes
1xjb.a is apo
2ipj.b:ffa
4jq1.a:nps
4jq2.a:suz
4jq3.a:zom
4jq4.a:imn
4jqa.a:id8
4jtq.a:flp
4jtr.a:ibp
4jtr.b:izp
4l1w.a:str
4l1x.a:str
4xo6.a:5sd
4xo6.b:aox
4xo7.a:asd
[1] 1ihi.a
0
0.1 - 0 0.1 0.3 0.2 1.5 0.1 0.1 0.1 0.1 0.1 0.2 0.1 0.2 0.6
[1] 1j96.b 0.2
0
- 0.1 0.3 0.5 0.2 1.4 0.6 0 0 0 0.1 0.2 0 0.2 0.7
[1] 1xjb.a 0.1 0.1
-
0.1 0.1 1.1 0.1 2.7 0.2 0.1 0.1 0 0.6 0.9 0.1 0.4 1.5
[1] 2ipj.b 0 0.2 -
0
0.2 1.0 0.1 1.9 0.2 0.1 0 0 0.3 0.7 0.1 0.4 1.2
[1] 4jq1.a 1.0 3.1 - 0.7
0
3.7 0.6 5.0 0.5 0.2 0.6 0.1 2.7 3.1 1.3 1.7 3.0
[1] 4jq2.a 0.2 0.2 - 0.3 0.1
0.1
0.1 1.5 0.2 0 0 0 0.1 0.3 0 0.2 0.2
[1] 4jq3.a 0 0.2 - 0 0.1 0.5
0
1.2 0.4 0 0 0 0.3 0.3 0.2 0.4 0.7
[1] 4jq4.a 0.3 0.3 - 0.3 0.2 0.1 0.3
0
0.4 0 0 0 0 0.1 0.1 0.4 0.4
[1] 4jqa.a 0.1 0.7 - 0.1 0.1 1.1 0.2 3.8
0.1
0.1 0.2 0.1 0.7 1.2 0.3 0.6 1.8
[1] 4jtq.a 0.2 0.2 - 0.3 0.1 0.8 0.3 2.4 0.3
0.1
0 0 0.3 0.9 0.1 0.2 1.2
[1] 4jtr.a 0.2 0.3 - 0.2 0.2 0.3 0.2 2.5 0.3 0.1
0
0 0.1 0.2 0.1 0.2 0.6
[1] 4jtr.b 0.2 0.2 - 0.3 0.3 0.6 0.1 2.1 0.1 0.1 0
0
0.3 0.5 0.1 0.4 1.3
[1] 4l1w.a 0.2 0 - 0.1 0.2 0.4 0.2 1.7 0.1 0.1 0.1 0.1
0
0.2 0 0 0.1
[1] 4l1x.a 0.3 0.1 - 0.4 0.8 0.7 0.5 2.0 0.8 0.3 0.6 0.6 0
0
0.1 0.1 0.4
[1] 4xo6.a 0.2 0.2 - 0.1 0.2 0.4 0.1 2.2 0.2 0 0 0 0.3 0.3
0.1
0.2 0.7
[1] 4xo6.b 0.1 0 - 0.2 0.3 0.3 0.2 1.8 0.2 0.1 0 0.1 0.1 0.2 0
0.1
0.5
[1] 4xo7.a 0.1 0.1 - 0.1 0.2 0.3 0.2 1.5 0 0.1 0.1 0 0 0 0 0
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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

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

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1ihi.a
1j96.b
1xjb.a
2ipj.b
4jq1.a
4jq2.a
4jq3.a
4jq4.a
4jqa.a
4jtq.a
4jtr.a
4jtr.b
4l1w.a
4l1x.a
4xo6.a
4xo6.b
4xo7.a
[1] 1ihi.a
0
.04 .11 .07 .21 .06 .11 .10 .15 .09 .08 .09 .03 .10 .06 .03 .04
[1] 1j96.b .04
0
.08 .08 .21 .05 .11 .09 .15 .08 .09 .08 .04 .09 .05 .02 .04
[1] 1xjb.a .11 .08
0
.06 .17 .10 .08 .17 .07 .05 .09 .04 .11 .15 .05 .09 .11
[1] 2ipj.b .07 .08 .06
0
.18 .08 .08 .14 .10 .09 .11 .04 .09 .14 .08 .08 .10
[1] 4jq1.a .21 .21 .17 .18
0
.21 .25 .28 .17 .19 .24 .17 .21 .27 .22 .21 .22
[1] 4jq2.a .06 .05 .10 .08 .21
0
.12 .08 .15 .08 .07 .07 .05 .08 .07 .04 .04
[1] 4jq3.a .11 .11 .08 .08 .25 .12
0
.11 .13 .13 .10 .08 .13 .17 .06 .12 .13
[1] 4jq4.a .10 .09 .17 .14 .28 .08 .11
0
.23 .14 .14 .14 .10 .14 .13 .09 .09
[1] 4jqa.a .15 .15 .07 .10 .17 .15 .13 .23
0
.10 .13 .09 .15 .19 .10 .13 .17
[1] 4jtq.a .09 .08 .05 .09 .19 .08 .13 .14 .10
0
.09 .05 .08 .13 .07 .07 .10
[1] 4jtr.a .08 .09 .09 .11 .24 .07 .10 .14 .13 .09
0
.08 .08 .13 .04 .08 .09
[1] 4jtr.b .09 .08 .04 .04 .17 .07 .08 .14 .09 .05 .08
0
.10 .14 .05 .08 .10
[1] 4l1w.a .03 .04 .11 .09 .21 .05 .13 .10 .15 .08 .08 .10
0
.06 .07 .02 .02
[1] 4l1x.a .10 .09 .15 .14 .27 .08 .17 .14 .19 .13 .13 .14 .06
0
.12 .07 .06
[1] 4xo6.a .06 .05 .05 .08 .22 .07 .06 .13 .10 .07 .04 .05 .07 .12
0
.05 .07
[1] 4xo6.b .03 .02 .09 .08 .21 .04 .12 .09 .13 .07 .08 .08 .02 .07 .05
0
.03
[1] 4xo7.a .04 .04 .11 .10 .22 .04 .13 .09 .17 .10 .09 .10 .02 .06 .07 .03
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

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
1ihi.a
1j96.b
1xjb.a
2ipj.b
4jq1.a
4jq2.a
4jq3.a
4jq4.a
4jqa.a
4jtq.a
4jtr.a
4jtr.b
4l1w.a
4l1x.a
4xo6.a
4xo6.b
4xo7.a
[1] 1ihi.a
0
0.3 0.4 0.4 0.5 0.5 0.4 0.5 0.4 0.4 0.4 0.5 0.5 0.5 0.4 0.5 0.5
[1] 1j96.b 0.3
0
0.4 0.4 0.5 0.6 0.4 0.6 0.4 0.4 0.4 0.4 0.4 0.4 0.2 0.5 0.4
[1] 1xjb.a 0.4 0.4
0
0.4 0.5 0.5 0.4 0.5 0.3 0.2 0.3 0.6 0.4 0.3 0.4 0.3 0.4
[1] 2ipj.b 0.4 0.4 0.4
0
0.5 0.5 0.4 0.5 0.4 0.5 0.5 0.4 0.5 0.5 0.4 0.6 0.6
[1] 4jq1.a 0.5 0.5 0.5 0.5
0
0.3 0.4 0.3 0.4 0.3 0.3 0.5 0.6 0.6 0.5 0.6 0.6
[1] 4jq2.a 0.5 0.6 0.5 0.5 0.3
0
0.3 0.3 0.4 0.3 0.3 0.6 0.7 0.6 0.6 0.6 0.6
[1] 4jq3.a 0.4 0.4 0.4 0.4 0.4 0.3
0
0.3 0.3 0.3 0.3 0.4 0.6 0.5 0.5 0.5 0.6
[1] 4jq4.a 0.5 0.6 0.5 0.5 0.3 0.3 0.3
0
0.4 0.3 0.3 0.5 0.7 0.6 0.6 0.6 0.6
[1] 4jqa.a 0.4 0.4 0.3 0.4 0.4 0.4 0.3 0.4
0
0.2 0.2 0.5 0.5 0.4 0.4 0.4 0.5
[1] 4jtq.a 0.4 0.4 0.2 0.5 0.3 0.3 0.3 0.3 0.2
0
0.1 0.5 0.5 0.4 0.4 0.4 0.5
[1] 4jtr.a 0.4 0.4 0.3 0.5 0.3 0.3 0.3 0.3 0.2 0.1
0
0.4 0.5 0.4 0.4 0.4 0.5
[1] 4jtr.b 0.5 0.4 0.6 0.4 0.5 0.6 0.4 0.5 0.5 0.5 0.4
0
0.6 0.6 0.4 0.7 0.7
[1] 4l1w.a 0.5 0.4 0.4 0.5 0.6 0.7 0.6 0.7 0.5 0.5 0.5 0.6
0
0.2 0.4 0.2 0.1
[1] 4l1x.a 0.5 0.4 0.3 0.5 0.6 0.6 0.5 0.6 0.4 0.4 0.4 0.6 0.2
0
0.5 0.2 0.2
[1] 4xo6.a 0.4 0.2 0.4 0.4 0.5 0.6 0.5 0.6 0.4 0.4 0.4 0.4 0.4 0.5
0
0.5 0.5
[1] 4xo6.b 0.5 0.5 0.3 0.6 0.6 0.6 0.5 0.6 0.4 0.4 0.4 0.7 0.2 0.2 0.5
0
0.2
[1] 4xo7.a 0.5 0.4 0.4 0.6 0.6 0.6 0.6 0.6 0.5 0.5 0.5 0.7 0.1 0.2 0.5 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 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
1ihi.a
1j96.b
1xjb.a
2ipj.b
4jq1.a
4jq2.a
4jq3.a
4jq4.a
4jqa.a
4jtq.a
4jtr.a
4jtr.b
4l1w.a
4l1x.a
4xo6.a
4xo6.b
4xo7.a
[1] 1ihi.a
0
1.0 1.1 1.1 1.2 1.1 1.1 1.2 1.3 1.1 1.1 1.1 1.0 0.9 0.9 1.0 1.0
[1] 1j96.b 1.0
0
0.9 1.1 1.0 0.9 0.9 1.1 1.2 0.9 0.9 1.0 0.8 0.8 0.7 0.9 0.9
[1] 1xjb.a 1.1 0.9
0
0.9 0.6 0.6 0.7 0.8 1.0 0.3 0.4 1.0 0.8 0.7 0.7 0.6 0.9
[1] 2ipj.b 1.1 1.1 0.9
0
1.1 1.0 1.0 1.2 1.3 1.0 1.0 0.6 0.9 1.0 0.8 0.8 0.9
[1] 4jq1.a 1.2 1.0 0.6 1.1
0
0.6 0.7 0.9 0.9 0.5 0.6 1.0 1.0 1.0 0.9 0.9 1.1
[1] 4jq2.a 1.1 0.9 0.6 1.0 0.6
0
0.5 0.7 0.9 0.5 0.5 1.0 0.9 0.8 0.9 0.8 1.0
[1] 4jq3.a 1.1 0.9 0.7 1.0 0.7 0.5
0
0.6 1.0 0.6 0.6 1.0 0.8 0.8 0.8 0.8 1.0
[1] 4jq4.a 1.2 1.1 0.8 1.2 0.9 0.7 0.6
0
1.2 0.8 0.7 1.2 1.0 1.0 1.1 0.9 1.1
[1] 4jqa.a 1.3 1.2 1.0 1.3 0.9 0.9 1.0 1.2
0
0.9 1.0 1.2 1.2 1.1 1.1 1.1 1.3
[1] 4jtq.a 1.1 0.9 0.3 1.0 0.5 0.5 0.6 0.8 0.9
0
0.3 0.9 0.8 0.8 0.7 0.7 1.0
[1] 4jtr.a 1.1 0.9 0.4 1.0 0.6 0.5 0.6 0.7 1.0 0.3
0
1.0 0.8 0.8 0.8 0.7 1.0
[1] 4jtr.b 1.1 1.0 1.0 0.6 1.0 1.0 1.0 1.2 1.2 0.9 1.0
0
0.9 1.0 0.8 0.9 0.9
[1] 4l1w.a 1.0 0.8 0.8 0.9 1.0 0.9 0.8 1.0 1.2 0.8 0.8 0.9
0
0.5 0.7 0.6 0.4
[1] 4l1x.a 0.9 0.8 0.7 1.0 1.0 0.8 0.8 1.0 1.1 0.8 0.8 1.0 0.5
0
0.6 0.6 0.6
[1] 4xo6.a 0.9 0.7 0.7 0.8 0.9 0.9 0.8 1.1 1.1 0.7 0.8 0.8 0.7 0.6
0
0.7 0.7
[1] 4xo6.b 1.0 0.9 0.6 0.8 0.9 0.8 0.8 0.9 1.1 0.7 0.7 0.9 0.6 0.6 0.7
0
0.6
[1] 4xo7.a 1.0 0.9 0.9 0.9 1.1 1.0 1.0 1.1 1.3 1.0 1.0 0.9 0.4 0.6 0.7 0.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

loading...