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DHB14_HUMAN_1_270

17-beta-hydroxysteroid dehydrogenase 14 [Short-chain dehydrogenases/reductases (SDR) family]

Composition of the binding site

Protein chains monomer
A1 (DHB14_HUMAN):93, 96, 141, 143, 148:151, 154, 185, 186, 191, 192, 195, 199, 20593, 96, 141, 143, 148:151, 154, 185, 186, 191, 192, 195, 199, 205
Cofactors (cF):nad

Full PDB list

1yde, 5en4, 5hs6, 5icm, 5ics, 5js6, 5jsf, 5l7t, 5l7w, 5l7y (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
H
9
3
P
9
6
S
1
4
1
V
1
4
3
Q
1
4
8
A
1
4
9
Q
1
5
0
Y
1
5
4
N
1
8
6
L
1
9
1
W
1
9
2
L
1
9
5
M
1
9
9
T
2
0
5
[1]5en4.a 5q624 . . . . . . . . . . . . . . nad
[1]5hs6.a j3z19 . . . . . . . . . . . . . . nad
[1]5icm.a f4524 . . . . . . . . . . . . . . nad
[1]5ics.c none . . . . . . . . . . . . . S
[1]5js6.a none . . . . . . . . . . . . . . nad
[1]5l7t.a 6qj24 . . . . . . . . . . . . . . nad
[1]5l7w.a 6qu25 . . . . . . . . . . . . . . nad
[1]5l7y.a 6qo24 . . . . . . . . . . . . . . nad

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
H
9
3
P
9
6
S
1
4
1
V
1
4
3
Q
1
4
8
A
1
4
9
Q
1
5
0
A
1
5
1
Y
1
5
4
G
1
8
5
N
1
8
6
L
1
9
1
W
1
9
2
L
1
9
5
M
1
9
9
T
2
0
5
[1]5en4.a . . . . . . . . . . . . . . . . nad
[1]5hs6.a . . . . . . . . . . . . . . . . nad
[1]5icm.a . . . . . . . . . . . . . . . . nad
[1]5ics.c . . . . . . . . . . . . . . . S
[1]5js6.a . . . . . . . . . . . . . . . . nad
[1]5l7t.a . . . . . . . . . . . . . . . . nad
[1]5l7w.a . . . . . . . . . . . . . . . . nad
[1]5l7y.a . . . . . . . . . . . . . . . . nad

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
5en4.a:5q6
5hs6.a:j3z
5icm.a:f45
5ics.c is apo
5js6.a is apo
5l7t.a:6qj
5l7w.a:6qu
5l7y.a:6qo
[1] 5en4.a
0.2
0.3 0.1 - - 0.1 0.1 0.2
[1] 5hs6.a 0.6
0
0.5 - - 0.5 0.6 0.6
[1] 5icm.a 0.2 0.4
0.1
- - 0.1 0.1 0.1
[1] 5ics.c 0.1 0.4 0.2
-
- 0.3 0.1 0.1
[1] 5js6.a 0.2 0.4 0.2 -
-
0.3 0.2 0.2
[1] 5l7t.a 0.2 0.4 0.2 - -
0.2
0.1 0.2
[1] 5l7w.a 0.1 0.4 0.2 - - 0.1
0.1
0.1
[1] 5l7y.a 0.1 0.5 0.2 - - 0.2 0.2
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
5en4.a
5hs6.a
5icm.a
5ics.c
5js6.a
5l7t.a
5l7w.a
5l7y.a
[1] 5en4.a
0
.01 .01 .02 .01 .01 .01 .01
[1] 5hs6.a .01
0
.01 .01 0 0 0 0
[1] 5icm.a .01 .01
0
.02 .01 .01 .01 .01
[1] 5ics.c .02 .01 .02
0
.01 .01 .01 .01
[1] 5js6.a .01 0 .01 .01
0
0 0 0
[1] 5l7t.a .01 0 .01 .01 0
0
0 0
[1] 5l7w.a .01 0 .01 .01 0 0
0
0
[1] 5l7y.a .01 0 .01 .01 0 0 0
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
5en4.a
5hs6.a
5icm.a
5ics.c
5js6.a
5l7t.a
5l7w.a
5l7y.a
[1] 5en4.a
0
0.2 0.2 0.5 0.2 0.2 0.2 0.1
[1] 5hs6.a 0.2
0
0.2 0.4 0.2 0.2 0.2 0.2
[1] 5icm.a 0.2 0.2
0
0.4 0.2 0.1 0.1 0.1
[1] 5ics.c 0.5 0.4 0.4
0
0.5 0.5 0.5 0.5
[1] 5js6.a 0.2 0.2 0.2 0.5
0
0.2 0.2 0.2
[1] 5l7t.a 0.2 0.2 0.1 0.5 0.2
0
0.1 0.1
[1] 5l7w.a 0.2 0.2 0.1 0.5 0.2 0.1
0
0.1
[1] 5l7y.a 0.1 0.2 0.1 0.5 0.2 0.1 0.1
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

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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
5en4.a
5hs6.a
5icm.a
5ics.c
5js6.a
5l7t.a
5l7w.a
5l7y.a
[1] 5en4.a
0
0.4 0.3 0.7 0.4 0.3 0.3 0.3
[1] 5hs6.a 0.4
0
0.3 0.7 0.5 0.3 0.3 0.3
[1] 5icm.a 0.3 0.3
0
0.7 0.5 0.2 0.2 0.2
[1] 5ics.c 0.7 0.7 0.7
0
0.6 0.6 0.6 0.7
[1] 5js6.a 0.4 0.5 0.5 0.6
0
0.3 0.3 0.4
[1] 5l7t.a 0.3 0.3 0.2 0.6 0.3
0
0.2 0.2
[1] 5l7w.a 0.3 0.3 0.2 0.6 0.3 0.2
0
0.1
[1] 5l7y.a 0.3 0.3 0.2 0.7 0.4 0.2 0.1
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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