MolNFT v1 · #181888 · protein

Bovine sigma-2 receptor bound to Z1241145220

7M95 · Sigma intracellular receptor 2: “Bovine sigma-2 receptor bound to Z1241145220”. X-ray diffraction, 2 ligands (ZNC, CLR), 5 pockets (best druggability 0.71). MolNFT v1 #181888 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 7M95
Type: protein
Length: 331 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sigma intracellular receptor 2
UniProt: Q3MHW7
Ligands: ZNC, CLR
Pockets: 5 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 74% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sigma intracellular receptor 2	protein	164	74% helix, 0% strand	Q3MHW7
B	Sigma intracellular receptor 2	protein	167	74% helix, 0% strand	Q3MHW7

Ligands and binding sites

ZNC · 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine · ligand · 2 copies · chains A, B
CLR · Cholesterol · ligand · chains A
OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 9 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	141	0.71	0.90	20	ZNC
2	158	0.69	0.88	22	ZNC
3	276	0.52	0.74	35	empty
4	161	0.49	0.76	18	OLC
5	132	0.47	0.77	15	OLC

Interfaces

1 interface between chains.

A–B · 883 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

7M95 · Bovine sigma-2 receptor bound to Z1241145220 · the same entry in another collection · chain A against A, TM-score 1.00
Q3MHW7 · AlphaFold monomer V2.0 prediction for sigma intracellular receptor 2 (Q3MHW7) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q3MHW7
Elsewhere: RCSB PDB 7M95 · PDBe 7M95 · UniProt Q3MHW7

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