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HDHA_ECOLI_1_255

7-alpha-hydroxysteroid dehydrogenase [Short-chain dehydrogenases/reductases (SDR) family]

Composition of the binding site

Protein chains monomer
A1 (HDHA_ECOLI):98:101, 146:148, 151, 156, 159, 189:191, 196, 197, 200, 209, 252:25498:101, 146:148, 151, 156, 159, 189:191, 196, 197, 200, 209, 252:254
Cofactors (cF):nai

Full PDB list

1ahh, 1ahi, 1fmc (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
G
9
8
G
9
9
G
1
0
0
S
1
4
6
A
1
4
8
N
1
5
1
M
1
5
6
Y
1
5
9
G
1
9
0
A
1
9
1
A
1
9
6
L
1
9
7
V
2
0
0
M
2
0
9
Q
2
5
2
E
2
5
3
L
2
5
4
[1]1ahh.b none . . . . . . . . . . . . . . . . -
[1]1fmc.b cho28 . . . . . . . . . . . . . . . . . nai

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 cF
G
9
8
G
9
9
G
1
0
0
P
1
0
1
S
1
4
6
M
1
4
7
A
1
4
8
N
1
5
1
M
1
5
6
Y
1
5
9
P
1
8
9
G
1
9
0
A
1
9
1
A
1
9
6
L
1
9
7
V
2
0
0
M
2
0
9
Q
2
5
2
E
2
5
3
L
2
5
4
[1]1ahh.b . . . . . . . . . . . . . . . . . . . -
[1]1fmc.b . . . . . . . . . . . . . . . . . . . . nai

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
1ahh.b is apo
1fmc.b:cho
[1] 1ahh.b
-
0.1
[1] 1fmc.b -
0
[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
1ahh.b
1fmc.b
[1] 1ahh.b
0
.01
[1] 1fmc.b .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.6 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
1ahh.b
1fmc.b
[1] 1ahh.b
0
2.8
[1] 1fmc.b 2.8
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

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
1ahh.b
1fmc.b
[1] 1ahh.b
0
3.1
[1] 1fmc.b 3.1
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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