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ERR3_HUMAN_228_458

Estrogen-related receptor gamma [Nuclear hormone receptor family. NR3 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ERR3_HUMAN):D: NR LBD (247:249, 265, 268, 269, 271:273, 275, 276, 305, 306, 309, 310, 312, 313, 316, 325:328, 342, 345, 346, 349, 431, 434, 435, 438, 440, 441, 446:454)247:249, 265, 268, 269, 271:273, 275, 276, 305, 306, 309, 310, 312, 313, 316, 325:328, 342, 345, 346, 349, 431, 434, 435, 438, 440, 441, 446:454

Full PDB list

1kv6, 1s9p, 1s9q, 1tfc, 1vjb, 2e2r, 2ewp, 2gp7, 2gpo, 2gpp, 2gpu, 2gpv, 2p7a, 2p7g, 2p7z, 2zas, 2zbs, 2zkc (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
E
2
4
7
K
2
4
8
I
2
4
9
L
2
6
5
L
2
6
8
C
2
6
9
L
2
7
1
A
2
7
2
D
2
7
3
E
2
7
5
W
3
0
5
M
3
0
6
L
3
0
9
I
3
1
0
V
3
1
3
R
3
1
6
V
3
2
5
Y
3
2
6
A
3
2
7
D
3
2
8
L
3
4
2
L
3
4
5
N
3
4
6
I
3
4
9
A
4
3
1
H
4
3
4
F
4
3
5
I
4
3
8
L
4
4
0
E
4
4
1
M
4
4
6
L
4
4
9
F
4
5
0
[1]1tfc.b none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2e2r.a 2oh17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2gpp.a 1ba21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2p7a.a 43m9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2zas.a 1oh16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2zkc.a bpz20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]1s9p.d des20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]2ewp.b txf31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]2gpu.a oht29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
E
2
4
7
K
2
4
8
I
2
4
9
L
2
6
5
L
2
6
8
C
2
6
9
L
2
7
1
A
2
7
2
D
2
7
3
E
2
7
5
L
2
7
6
W
3
0
5
M
3
0
6
L
3
0
9
I
3
1
0
G
3
1
2
V
3
1
3
R
3
1
6
V
3
2
5
Y
3
2
6
A
3
2
7
D
3
2
8
L
3
4
2
L
3
4
5
N
3
4
6
I
3
4
9
A
4
3
1
H
4
3
4
F
4
3
5
I
4
3
8
L
4
4
0
E
4
4
1
M
4
4
6
H
4
4
7
K
4
4
8
L
4
4
9
F
4
5
0
L
4
5
1
E
4
5
2
M
4
5
3
L
4
5
4
[1]1tfc.b . . . . . . . . . . . . . . . . . * . * . . . . . . . . * . . . . . . . * . . . .
[1]2e2r.a . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . * . . . .
[1]2gpp.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * . . . . . . * . . . .
[1]2p7a.a . . . . . . . . . . . . . . . . . * . . . . . * . . . . * . . . . . . . * . . . .
[1]2zas.a . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . * . . . .
[1]2zkc.a . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . * . . . .
[2]1s9p.d . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . * . . .
[2]2ewp.b . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[2]2gpu.a . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .

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
1tfc.b is apo
2e2r.a:2oh
2gpp.a:1ba
2p7a.a:43m
2zas.a:1oh
2zkc.a:bpz
1s9p.d:des
2ewp.b:txf
2gpu.a:oht
[1] 1tfc.b
-
1.2 2.0 0 0.4 1.7 3.3 9.2 8.4
[1] 2e2r.a -
0
2.4 0 0.1 0.1 3.9 8.9 8.7
[1] 2gpp.a - 0.6
0
0 0.1 1.1 4.6 9.4 9.1
[1] 2p7a.a - 0.8 2.3
0
0.6 1.2 3.4 9.6 8.8
[1] 2zas.a - 0.3 2.6 0
0.1
0.4 3.7 8.9 8.4
[1] 2zkc.a - 0.1 2.8 0 0.1
0.1
3.7 8.8 8.5
[2] 1s9p.d - 0.7 2.7 0.1 0.2 0.6
0
3.0 2.5
[2] 2ewp.b - 0.1 3.1 0 0.1 0.3 0.2
0.1
0
[2] 2gpu.a - 0.3 2.6 0 0.2 0.3 0.2 0.5
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
1tfc.b
2e2r.a
2gpp.a
2p7a.a
2zas.a
2zkc.a
1s9p.d
2ewp.b
2gpu.a
[1] 1tfc.b
0
.06 .10 .04 .07 .07 .30 .25 .25
[1] 2e2r.a .06
0
.11 .05 .03 .02 .32 .26 .25
[1] 2gpp.a .10 .11
0
.10 .12 .12 .38 .33 .34
[1] 2p7a.a .04 .05 .10
0
.04 .05 .32 .26 .26
[1] 2zas.a .07 .03 .12 .04
0
.03 .31 .25 .23
[1] 2zkc.a .07 .02 .12 .05 .03
0
.33 .27 .26
[2] 1s9p.d .30 .32 .38 .32 .31 .33
0
.11 .10
[2] 2ewp.b .25 .26 .33 .26 .25 .27 .11
0
.02
[2] 2gpu.a .25 .25 .34 .26 .23 .26 .10 .02
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
1tfc.b
2e2r.a
2gpp.a
2p7a.a
2zas.a
2zkc.a
1s9p.d
2ewp.b
2gpu.a
[1] 1tfc.b
0
0.4 0.9 0.4 0.4 0.4 1.8 5.5 5.6
[1] 2e2r.a 0.4
0
0.8 0.3 0.2 0.2 1.8 5.5 5.6
[1] 2gpp.a 0.9 0.8
0
0.8 0.8 0.8 1.9 5.5 5.7
[1] 2p7a.a 0.4 0.3 0.8
0
0.2 0.3 1.8 5.5 5.7
[1] 2zas.a 0.4 0.2 0.8 0.2
0
0.2 1.8 5.5 5.6
[1] 2zkc.a 0.4 0.2 0.8 0.3 0.2
0
1.8 5.4 5.6
[2] 1s9p.d 1.8 1.8 1.9 1.8 1.8 1.8
0
5.1 5.2
[2] 2ewp.b 5.5 5.5 5.5 5.5 5.5 5.4 5.1
0
0.5
[2] 2gpu.a 5.6 5.6 5.7 5.7 5.6 5.6 5.2 0.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.9 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
1tfc.b
2e2r.a
2gpp.a
2p7a.a
2zas.a
2zkc.a
1s9p.d
2ewp.b
2gpu.a
[1] 1tfc.b
0
0.8 1.4 0.9 0.8 0.8 3.2 6.0 6.1
[1] 2e2r.a 0.8
0
1.6 0.8 0.4 0.4 3.4 5.9 6.1
[1] 2gpp.a 1.4 1.6
0
1.6 1.6 1.6 3.7 6.1 6.3
[1] 2p7a.a 0.9 0.8 1.6
0
0.8 0.8 3.4 6.0 6.1
[1] 2zas.a 0.8 0.4 1.6 0.8
0
0.3 3.4 5.9 6.1
[1] 2zkc.a 0.8 0.4 1.6 0.8 0.3
0
3.4 5.9 6.0
[2] 1s9p.d 3.2 3.4 3.7 3.4 3.4 3.4
0
5.8 5.9
[2] 2ewp.b 6.0 5.9 6.1 6.0 5.9 5.9 5.8
0
0.9
[2] 2gpu.a 6.1 6.1 6.3 6.1 6.1 6.0 5.9 0.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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