MolNFT v1 · #73498 · protein

Crystal structure of AKR1B14 in complex with NADP

3O3R · Aldo-keto reductase family 1, member B7: “Crystal structure of AKR1B14 in complex with NADP”. X-ray diffraction, 1 ligand (NAP), 4 pockets (best druggability 0.71). MolNFT v1 #73498 on GenesisL1: 3D structure, binding sites and…

PDB: 3O3R
Type: protein
Length: 630 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aldo-keto reductase family 1, member B7
UniProt: Q5RJP0
Ligands: NAP
Pockets: 4 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Aldo-keto reductase family 1, member B7	protein	315	37% helix, 16% strand	Q5RJP0

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B

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

Pockets

4 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	475	0.71	0.81	50	NAP
2	339	0.67	0.81	44	NAP
3	81	0.34	0.75	24	empty
4	51	0.30	0.76	13	empty

Compared structures

3O3R · Crystal Structure of AKR1B14 in complex with NADP · the same entry in another collection · chain A against A, TM-score 1.00
Q5RJP0 · AlphaFold monomer V2.0 prediction for aldo-keto reductase family 1 member B7 (Q5RJP0) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q5RJP0
Elsewhere: RCSB PDB 3O3R · PDBe 3O3R · UniProt Q5RJP0

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