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HSD_STREX_2_255

3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase [Short-chain dehydrogenases/reductases (SDR) family]

Composition of the binding site

Protein chains homodimer
A1 (HSD_STREX):13, 16:19, 37:39, 59:61, 87:93, 110, 137:139, 146, 148, 149, 152, 156, 182:185, 187:190, 193, 24313, 16:19, 37:39, 59:61, 87:93, 110, 137:139, 146, 148, 149, 152, 156, 182:185, 187:190, 193, 243
A2 (HSD_STREX):252, 253252, 253

Full PDB list

1hdc, 2hsd

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
G
1
3
R
1
6
L
1
8
D
3
7
L
3
9
L
5
9
D
6
0
V
6
1
N
8
7
A
8
8
G
8
9
S
9
1
T
9
2
G
9
3
I
1
1
0
I
1
3
7
S
1
3
8
S
1
3
9
L
1
4
6
L
1
4
8
T
1
4
9
Y
1
5
2
K
1
5
6
P
1
8
2
G
1
8
3
M
1
8
4
T
1
8
5
M
1
8
9
T
1
9
0
T
1
9
3
W
2
4
3
M
2
5
3
[1]1hdc.b cbo41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2hsd.c nad44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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

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PDB.ch
A1 A2
G
1
3
R
1
6
G
1
7
L
1
8
G
1
9
D
3
7
V
3
8
L
3
9
L
5
9
D
6
0
V
6
1
N
8
7
A
8
8
G
8
9
I
9
0
S
9
1
T
9
2
G
9
3
I
1
1
0
I
1
3
7
S
1
3
8
S
1
3
9
L
1
4
6
L
1
4
8
T
1
4
9
Y
1
5
2
K
1
5
6
P
1
8
2
G
1
8
3
M
1
8
4
T
1
8
5
T
1
8
7
P
1
8
8
M
1
8
9
T
1
9
0
T
1
9
3
W
2
4
3
V
2
5
2
M
2
5
3
[1]1hdc.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2hsd.c . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
1hdc.b:cbo
2hsd.c:nad
[1] 1hdc.b
0.1
0.4
[1] 2hsd.c 0.3
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
1hdc.b
2hsd.c
[1] 1hdc.b
0
.02
[1] 2hsd.c .02
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.6 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
1hdc.b
2hsd.c
[1] 1hdc.b
0
0.9
[1] 2hsd.c 0.9
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.5 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
1hdc.b
2hsd.c
[1] 1hdc.b
0
1.3
[1] 2hsd.c 1.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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