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DHI1_MOUSE_25_291

Corticosteroid 11-beta-dehydrogenase isozyme 1 [Short-chain dehydrogenases/reductases (SDR) family]

Composition of the binding site

Protein chains homodimer
A1 (DHI1_MOUSE):121, 124:126, 170:172, 177, 180, 183, 215:217, 222, 223, 226, 227, 231, 233121, 124:126, 170:172, 177, 180, 183, 215:217, 222, 223, 226, 227, 231, 233
A2 (DHI1_MOUSE):280, 283, 284280, 283, 284
Cofactors (cF):ndp

Full PDB list

1y5m, 1y5r, 3gmd, 4k26, 4nmh

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2 cF
I
1
2
1
T
1
2
4
S
1
2
5
L
1
2
6
S
1
7
0
L
1
7
1
A
1
7
2
Q
1
7
7
I
1
8
0
Y
1
8
3
L
2
1
5
G
2
1
6
L
2
1
7
T
2
2
2
A
2
2
3
E
2
2
6
I
2
2
7
I
2
3
1
A
2
3
3
S
2
8
0
Y
2
8
3
Y
2
8
4
[1]1y5m.a oct8 . . . . . . . . . . . . . . . . . . . . . . ndp
[1]1y5r.b c0r25 . . . . . . . . . . . . . . . . . . . . . . ndp
[1]3gmd.c 2m326 . . . . . . . Y V . . . . . . A V V . . . . ndp
[1]4k26.a sff19 . . . . . . . . . . . . . . . . . . . . . . ndp
[1]4nmh.a 2kg25 . . . . . . . Y V . . . . . . . . . . . . . ndp

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 cF
I
1
2
1
T
1
2
4
S
1
2
5
L
1
2
6
S
1
7
0
L
1
7
1
A
1
7
2
Q
1
7
7
I
1
8
0
Y
1
8
3
L
2
1
5
G
2
1
6
L
2
1
7
T
2
2
2
A
2
2
3
E
2
2
6
I
2
2
7
I
2
3
1
A
2
3
3
S
2
8
0
Y
2
8
3
Y
2
8
4
[1]1y5m.a . . . . . . . . . . . . . . . . . . . . . . ndp
[1]1y5r.b . . . . . . . * . . . . . . . . . . . . . . ndp
[1]3gmd.c . . . . . . . Y V . . . . . . A V V . . . . ndp
[1]4k26.a . . . . . . . * . . . . . . . . . . . . . . ndp
[1]4nmh.a . . . . . . . Y V . . . . . . . . . . . . . ndp

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
1y5m.a:oct
1y5r.b:c0r
3gmd.c:2m3
4k26.a:sff
4nmh.a:2kg
[1] 1y5m.a
0
0.1 0.6 0 0.4
[1] 1y5r.b 0.1
0
1.8 0.1 0.8
[1] 3gmd.c 0.2 0.2
0
0.1 0.2
[1] 4k26.a 0 0.1 1.1
0
0.6
[1] 4nmh.a 0.2 0.1 0.3 0.1
0.1
[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
1y5m.a
1y5r.b
3gmd.c
4k26.a
4nmh.a
[1] 1y5m.a
0
.07 .05 .05 .06
[1] 1y5r.b .07
0
.10 .05 .10
[1] 3gmd.c .05 .10
0
.10 .03
[1] 4k26.a .05 .05 .10
0
.09
[1] 4nmh.a .06 .10 .03 .09
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 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
1y5m.a
1y5r.b
3gmd.c
4k26.a
4nmh.a
[1] 1y5m.a
0
0.4 0.5 0.4 0.4
[1] 1y5r.b 0.4
0
0.4 0.4 0.4
[1] 3gmd.c 0.5 0.4
0
0.5 0.4
[1] 4k26.a 0.4 0.4 0.5
0
0.4
[1] 4nmh.a 0.4 0.4 0.4 0.4
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

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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
1y5m.a
1y5r.b
3gmd.c
4k26.a
4nmh.a
[1] 1y5m.a
0
0.7 1.1 0.8 1.0
[1] 1y5r.b 0.7
0
1.1 0.8 0.9
[1] 3gmd.c 1.1 1.1
0
0.9 0.7
[1] 4k26.a 0.8 0.8 0.9
0
0.7
[1] 4nmh.a 1.0 0.9 0.7 0.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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