MolNFT v1 · #179147 · protein

Cellular retinol-binding protein 2 (CRBP2) in complex with 2- oleoylglycerol

7JWR: “Cellular retinol-binding protein 2 (CRBP2) in complex with 2- oleoylglycerol”. X-ray diffraction, 1 ligand (YOG), 3 pockets (best druggability 0.84). MolNFT v1 #179147 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7JWR
Type: protein
Length: 274 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Retinol-binding protein 2
UniProt: P50120
Ligands: YOG
Pockets: 3 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 54% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Retinol-binding protein 2	protein	136	10% helix, 54% strand	P50120
B	Retinol-binding protein 2	protein	138	10% helix, 54% strand	P50120

Ligands and binding sites

YOG · 1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate · ligand · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	272	0.84	0.95	37	YOG
2	284	0.83	0.94	36	YOG
3	130	0.46	0.78	25	empty

Interfaces

1 interface between chains.

A–B · 595 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

7JWR · Cellular retinol-binding protein 2 (CRBP2) in complex with 2-oleoylglycerol · the same entry in another collection · chain A against A, TM-score 1.00

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 P50120
Elsewhere: RCSB PDB 7JWR · PDBe 7JWR · UniProt P50120

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