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MCR_HUMAN_724_984

Mineralocorticoid receptor [Nuclear hormone receptor family. NR3 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (MCR_HUMAN):R: Steroid-binding (766, 769, 770, 772, 773, 776, 806, 807, 810, 811, 814, 817, 829, 835, 840, 843:846, 848, 849, 852, 938, 941, 942, 945, 954, 956, 960)766, 769, 770, 772, 773, 776, 806, 807, 810, 811, 814, 817, 829, 835, 840, 843:846, 848, 849, 852, 938, 941, 942, 945, 954, 956, 960

Full PDB list

1y9r, 1ya3, 2a3i, 2aa2, 2aa5, 2aa6, 2aa7, 2aax, 2ab2, 2abi, 2oax, 3vhu, 3vhv, 3wff, 3wfg, 4pf3, 4uda, 4udb, 5hcv, 5l7e, 5l7g, 5l7h (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
7
6
6
L
7
6
9
N
7
7
0
L
7
7
2
A
7
7
3
Q
7
7
6
W
8
0
6
M
8
0
7
S
8
1
0
S
8
1
1
L
8
1
4
R
8
1
7
F
8
2
9
M
8
4
0
M
8
4
5
L
8
4
8
C
8
4
9
M
8
5
2
L
9
3
8
F
9
4
1
C
9
4
2
T
9
4
5
V
9
5
4
F
9
5
6
L
9
6
0
[1]1y9r.a 1ca24 . . . . . . . . L . . . . . . . . . . . . . . . .
[1]2a3i.a c0r25 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2aa2.a as426 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2aa5.a str23 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2aa6.a str23 . . . . . . . . L . . . . . . . . . . . . . . . .
[1]2aax.a pdn26 . . . . . . . . L . . . . . . . . . . . . . . . .
[1]2ab2.a snl29 . . . . . . . . L . . . . . . . . . . . . . . . .
[1]2abi.a 1ca24 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3vhv.a ld126 . . . . . . . . L . . . . . . . . . . . . . . . .
[1]3wff.a wff25 . . . . . . . . L . . . . . . . . . . . . . . . .
[1]3wfg.a wfg25 . . . . . . . . L . . . . . . . . . . . . . . . .
[1]4pf3.a hfn30 . . . . . . . . L . . . . . . . . . . . . . . . .
[1]4uda.a dex28 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4udb.a cv734 . . . . . . . . L . . . . . . . . . . . . . . . .
[1]5hcv.a 60r28 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5l7e.a 6q024 . . . . . . . . L . . . . . . . . . . . . . . . .
[1]5l7g.a 6qe31 . . . . . . . . L . . . . . . . . . . . . . . . .
[1]5l7h.a 6qg28 . . . . . . . . L . . . . . . . . . . . . . . . .

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
L
7
6
6
L
7
6
9
N
7
7
0
L
7
7
2
A
7
7
3
Q
7
7
6
W
8
0
6
M
8
0
7
S
8
1
0
S
8
1
1
L
8
1
4
R
8
1
7
F
8
2
9
F
8
3
5
M
8
4
0
S
8
4
3
A
8
4
4
M
8
4
5
Y
8
4
6
L
8
4
8
C
8
4
9
M
8
5
2
L
9
3
8
F
9
4
1
C
9
4
2
T
9
4
5
V
9
5
4
F
9
5
6
L
9
6
0
[1]1y9r.a . . . . . . . . L . . . . . . . . * . . . * . . . . . . .
[1]2a3i.a . . . . . . . . . . . . . . . . . * . . . * . . . . . . .
[1]2aa2.a . . . . . . . . . . . . . . . . . * . . . * . . . . . . .
[1]2aa5.a . . . . . . . . . . . . . . . . . * . . . * . . . . . . .
[1]2aa6.a . . . . . . . . L . . . . . . . . * . . . * . . . . . . .
[1]2aax.a . . . . . . . . L . . . . . . . . * . . . * . . . . . . .
[1]2ab2.a . . . . . . . . L . . . . . . . . * . . . * . . . . . . .
[1]2abi.a . . . . . . . . . . . . . . . . . * . . . * . . . . . . .
[1]3vhv.a . . . . . . . . L . . . . . . . . * . . . . . . . . . . .
[1]3wff.a . . . . . . . . L . . . . . . . . * . . . . . . . . . . .
[1]3wfg.a . . . . . . . . L . . . . . . . . * . . . . . . . . . . .
[1]4pf3.a . . . . . . . . L . . . . . . . . * . . . . . . . . . . .
[1]4uda.a . . . . . . . . . . . . . . . . . * . . . * . . . . . . .
[1]4udb.a . . . . . . . . L . . . . . . . . . . . . * . . . . . . .
[1]5hcv.a . . . . . . . . . . . . . . . . . * . . . . . . . . . . .
[1]5l7e.a . . . . . . . . L . . . . . . . . * . . . * . . . . . . .
[1]5l7g.a . . . . . . . . L . . . . . . . . * . . . . . . . . . . .
[1]5l7h.a . . . . . . . . L . . . . . . . . * . . . . . . . . . . .

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
1y9r.a:1ca
2a3i.a:c0r
2aa2.a:as4
2aa5.a:str
2aa6.a:str
2aax.a:pdn
2ab2.a:snl
2abi.a:1ca
3vhv.a:ld1
3wff.a:wff
3wfg.a:wfg
4pf3.a:hfn
4uda.a:dex
4udb.a:cv7
5hcv.a:60r
5l7e.a:6q0
5l7g.a:6qe
5l7h.a:6qg
[1] 1y9r.a
0
0 0.2 0.1 0.1 0.3 0.7 0.2 1.4 1.6 1.7 1.7 0.3 2.8 2.0 0.7 2.1 1.5
[1] 2a3i.a 0.1
0
0 0 0 0.1 0.6 0.1 1.6 1.9 1.8 1.8 0.2 3.3 2.0 0.2 1.9 1.6
[1] 2aa2.a 0.1 0
0
0 0 0.1 0.5 0.1 1.3 1.6 1.8 1.9 0.1 3.1 2.0 0.1 1.8 1.5
[1] 2aa5.a 0.1 0 0
0
0 0.1 0.7 0.2 1.7 1.7 1.8 1.8 0.1 3.1 2.1 0.2 2.1 1.7
[1] 2aa6.a 0.1 0 0 0
0
0.1 0.5 0.2 1.5 1.6 1.8 1.9 0.1 3.1 2.0 0.2 2.1 1.7
[1] 2aax.a 0.1 0 0 0 0
0
0.8 0.1 1.5 2.1 1.8 1.7 0.1 3.1 1.9 0.3 2.0 1.5
[1] 2ab2.a 0.1 0 0 0 0 0.1
0.2
0.1 1.3 1.3 1.8 1.6 0.2 3.5 1.6 0.2 1.8 1.3
[1] 2abi.a 0 0 0 0 0 0.1 0.7
0
1.4 1.8 1.8 1.7 0.4 3.2 2.0 0.2 1.9 1.5
[1] 3vhv.a 0.4 0.2 0.1 0.1 0.1 0.2 0.5 0.4
0
0.3 0.2 0.3 0.8 3.2 0.3 0.3 0.7 0.3
[1] 3wff.a 0.1 0.2 0.3 0.3 0.2 0.3 0.8 0.4 0
0
0 0.5 0.4 3.3 0.4 0.6 0.7 0.6
[1] 3wfg.a 0.7 0.6 0.5 0.5 0.6 0.8 1.0 0.7 0.1 0.1
0
0.4 0.8 3.5 0.6 0.9 1.0 0.6
[1] 4pf3.a 0.3 0.2 0.2 0.1 0.2 0.5 0.2 0.3 0.1 0.2 0.2
0
0.3 2.9 0.2 0.4 0.5 0.2
[1] 4uda.a 0.1 0 0 0 0 0 1.0 0.2 1.8 1.8 1.8 1.8
0
3.1 1.7 0.2 2.4 1.6
[1] 4udb.a 0.1 0 0 0.1 0 0.1 0.6 0.4 1.6 1.7 1.7 1.6 0
0
1.8 0.2 1.9 1.4
[1] 5hcv.a 0.1 0 0.1 0.1 0.1 0.4 0.3 0.2 0 0.1 0.1 0.1 0.1 3.1
0
0.4 0.5 0.4
[1] 5l7e.a 0.3 0.1 0.1 0.1 0.2 0.3 0.6 0.2 1.9 1.9 2.2 2.3 0.6 3.1 1.8
0
2.1 1.4
[1] 5l7g.a 0.3 0.1 0.1 0.1 0.1 0.2 0.4 0.3 0.2 0.2 0.6 0.8 0.4 3.4 0.9 0.1
0.1
0
[1] 5l7h.a 0.3 0 0.1 0.1 0.1 0.3 0.2 0.2 0.2 0.2 0.4 0.8 0.2 2.8 0.4 0 0.2
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
1y9r.a
2a3i.a
2aa2.a
2aa5.a
2aa6.a
2aax.a
2ab2.a
2abi.a
3vhv.a
3wff.a
3wfg.a
4pf3.a
4uda.a
4udb.a
5hcv.a
5l7e.a
5l7g.a
5l7h.a
[1] 1y9r.a
0
.06 .04 .04 .04 .06 .07 .05 .11 .11 .12 .13 .06 .13 .12 .08 .13 .13
[1] 2a3i.a .06
0
.02 .02 .03 .02 .03 .02 .09 .11 .12 .12 .02 .14 .12 .04 .11 .11
[1] 2aa2.a .04 .02
0
.01 .01 .02 .03 .03 .09 .09 .10 .10 .03 .13 .11 .04 .09 .10
[1] 2aa5.a .04 .02 .01
0
.01 .02 .03 .04 .09 .09 .10 .10 .03 .13 .10 .05 .10 .11
[1] 2aa6.a .04 .03 .01 .01
0
.02 .03 .04 .08 .09 .10 .09 .03 .13 .10 .05 .09 .10
[1] 2aax.a .06 .02 .02 .02 .02
0
.03 .04 .09 .09 .12 .10 .02 .14 .10 .03 .09 .10
[1] 2ab2.a .07 .03 .03 .03 .03 .03
0
.04 .08 .10 .12 .11 .04 .16 .10 .06 .10 .11
[1] 2abi.a .05 .02 .03 .04 .04 .04 .04
0
.10 .11 .13 .13 .05 .14 .11 .06 .12 .12
[1] 3vhv.a .11 .09 .09 .09 .08 .09 .08 .10
0
.05 .07 .06 .10 .19 .05 .11 .06 .08
[1] 3wff.a .11 .11 .09 .09 .09 .09 .10 .11 .05
0
.04 .05 .10 .21 .04 .11 .04 .08
[1] 3wfg.a .12 .12 .10 .10 .10 .12 .12 .13 .07 .04
0
.07 .12 .23 .07 .14 .08 .10
[1] 4pf3.a .13 .12 .10 .10 .09 .10 .11 .13 .06 .05 .07
0
.11 .20 .05 .11 .07 .06
[1] 4uda.a .06 .02 .03 .03 .03 .02 .04 .05 .10 .10 .12 .11
0
.15 .11 .04 .11 .11
[1] 4udb.a .13 .14 .13 .13 .13 .14 .16 .14 .19 .21 .23 .20 .15
0
.21 .15 .21 .19
[1] 5hcv.a .12 .12 .11 .10 .10 .10 .10 .11 .05 .04 .07 .05 .11 .21
0
.13 .07 .08
[1] 5l7e.a .08 .04 .04 .05 .05 .03 .06 .06 .11 .11 .14 .11 .04 .15 .13
0
.08 .08
[1] 5l7g.a .13 .11 .09 .10 .09 .09 .10 .12 .06 .04 .08 .07 .11 .21 .07 .08
0
.03
[1] 5l7h.a .13 .11 .10 .11 .10 .10 .11 .12 .08 .08 .10 .06 .11 .19 .08 .08 .03
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

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
1y9r.a
2a3i.a
2aa2.a
2aa5.a
2aa6.a
2aax.a
2ab2.a
2abi.a
3vhv.a
3wff.a
3wfg.a
4pf3.a
4uda.a
4udb.a
5hcv.a
5l7e.a
5l7g.a
5l7h.a
[1] 1y9r.a
0
0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.6 0.6 0.5 0.5 0.5 2.2 0.5 0.5 0.6 0.5
[1] 2a3i.a 0.5
0
0.2 0.2 0.2 0.2 0.2 0.2 0.4 0.4 0.3 0.3 0.2 2.2 0.4 0.2 0.3 0.3
[1] 2aa2.a 0.5 0.2
0
0.1 0.2 0.2 0.2 0.3 0.4 0.4 0.3 0.3 0.3 2.2 0.4 0.3 0.3 0.3
[1] 2aa5.a 0.5 0.2 0.1
0
0.1 0.2 0.2 0.3 0.4 0.4 0.3 0.3 0.2 2.2 0.4 0.2 0.3 0.3
[1] 2aa6.a 0.5 0.2 0.2 0.1
0
0.1 0.1 0.3 0.3 0.4 0.3 0.3 0.3 2.2 0.4 0.2 0.3 0.3
[1] 2aax.a 0.5 0.2 0.2 0.2 0.1
0
0.1 0.3 0.4 0.4 0.3 0.3 0.3 2.2 0.4 0.2 0.3 0.3
[1] 2ab2.a 0.5 0.2 0.2 0.2 0.1 0.1
0
0.3 0.4 0.3 0.3 0.3 0.3 2.2 0.4 0.2 0.3 0.3
[1] 2abi.a 0.5 0.2 0.3 0.3 0.3 0.3 0.3
0
0.5 0.4 0.3 0.4 0.3 2.2 0.4 0.3 0.4 0.4
[1] 3vhv.a 0.6 0.4 0.4 0.4 0.3 0.4 0.4 0.5
0
0.5 0.4 0.4 0.4 2.3 0.4 0.4 0.4 0.4
[1] 3wff.a 0.6 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.5
0
0.2 0.4 0.4 2.2 0.4 0.3 0.3 0.3
[1] 3wfg.a 0.5 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.2
0
0.2 0.3 2.2 0.3 0.2 0.2 0.2
[1] 4pf3.a 0.5 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.4 0.4 0.2
0
0.4 2.2 0.3 0.3 0.3 0.3
[1] 4uda.a 0.5 0.2 0.3 0.2 0.3 0.3 0.3 0.3 0.4 0.4 0.3 0.4
0
2.2 0.4 0.2 0.3 0.3
[1] 4udb.a 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.3 2.2 2.2 2.2 2.2
0
2.2 2.2 2.2 2.2
[1] 5hcv.a 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.3 0.3 0.4 2.2
0
0.4 0.4 0.4
[1] 5l7e.a 0.5 0.2 0.3 0.2 0.2 0.2 0.2 0.3 0.4 0.3 0.2 0.3 0.2 2.2 0.4
0
0.2 0.2
[1] 5l7g.a 0.6 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.4 0.3 0.2 0.3 0.3 2.2 0.4 0.2
0
0.1
[1] 5l7h.a 0.5 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.4 0.3 0.2 0.3 0.3 2.2 0.4 0.2 0.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 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
1y9r.a
2a3i.a
2aa2.a
2aa5.a
2aa6.a
2aax.a
2ab2.a
2abi.a
3vhv.a
3wff.a
3wfg.a
4pf3.a
4uda.a
4udb.a
5hcv.a
5l7e.a
5l7g.a
5l7h.a
[1] 1y9r.a
0
0.7 0.6 0.7 0.6 0.6 0.7 0.6 0.8 1.0 1.0 0.9 0.8 2.2 1.0 0.8 0.9 0.9
[1] 2a3i.a 0.7
0
0.5 0.6 0.5 0.5 0.6 0.5 0.8 0.9 0.9 0.9 0.5 2.2 0.9 0.7 0.9 0.8
[1] 2aa2.a 0.6 0.5
0
0.4 0.4 0.3 0.4 0.4 0.7 0.8 0.9 0.8 0.7 2.2 0.9 0.6 0.8 0.8
[1] 2aa5.a 0.7 0.6 0.4
0
0.3 0.4 0.2 0.5 0.7 0.9 0.9 0.9 0.7 2.2 0.9 0.7 0.9 0.9
[1] 2aa6.a 0.6 0.5 0.4 0.3
0
0.3 0.3 0.4 0.7 0.8 0.9 0.9 0.7 2.2 0.9 0.7 0.8 0.8
[1] 2aax.a 0.6 0.5 0.3 0.4 0.3
0
0.4 0.4 0.7 0.8 0.9 0.8 0.7 2.2 0.9 0.6 0.8 0.8
[1] 2ab2.a 0.7 0.6 0.4 0.2 0.3 0.4
0
0.5 0.7 0.9 0.9 0.9 0.8 2.2 0.9 0.7 0.8 0.8
[1] 2abi.a 0.6 0.5 0.4 0.5 0.4 0.4 0.5
0
0.8 0.9 0.9 0.9 0.7 2.2 0.9 0.7 0.9 0.8
[1] 3vhv.a 0.8 0.8 0.7 0.7 0.7 0.7 0.7 0.8
0
0.8 0.8 0.8 0.9 2.3 0.8 0.9 0.8 0.8
[1] 3wff.a 1.0 0.9 0.8 0.9 0.8 0.8 0.9 0.9 0.8
0
0.5 0.5 0.8 2.3 0.6 0.7 0.5 0.5
[1] 3wfg.a 1.0 0.9 0.9 0.9 0.9 0.9 0.9 0.9 0.8 0.5
0
0.4 0.8 2.3 0.7 0.7 0.5 0.5
[1] 4pf3.a 0.9 0.9 0.8 0.9 0.9 0.8 0.9 0.9 0.8 0.5 0.4
0
0.8 2.2 0.6 0.7 0.5 0.5
[1] 4uda.a 0.8 0.5 0.7 0.7 0.7 0.7 0.8 0.7 0.9 0.8 0.8 0.8
0
2.2 0.8 0.6 0.8 0.8
[1] 4udb.a 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.3 2.3 2.3 2.2 2.2
0
2.3 2.2 2.2 2.2
[1] 5hcv.a 1.0 0.9 0.9 0.9 0.9 0.9 0.9 0.9 0.8 0.6 0.7 0.6 0.8 2.3
0
0.8 0.7 0.6
[1] 5l7e.a 0.8 0.7 0.6 0.7 0.7 0.6 0.7 0.7 0.9 0.7 0.7 0.7 0.6 2.2 0.8
0
0.6 0.6
[1] 5l7g.a 0.9 0.9 0.8 0.9 0.8 0.8 0.8 0.9 0.8 0.5 0.5 0.5 0.8 2.2 0.7 0.6
0
0.3
[1] 5l7h.a 0.9 0.8 0.8 0.9 0.8 0.8 0.8 0.8 0.8 0.5 0.5 0.5 0.8 2.2 0.6 0.6 0.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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