MolNFT v1 · #76443 · protein

Crystal structure of mutant HIS269ARG AKR1B14

3QKZ · Aldo-keto reductase family 1, member B7: “Crystal structure of mutant HIS269ARG AKR1B14”. X-ray diffraction, 1 ligand (NAP), 4 pockets (best druggability 0.71). MolNFT v1 #76443 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3QKZ
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 · 38% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Aldo-keto reductase family 1, member B7	protein	315	38% helix, 15% 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	446	0.71	0.81	47	NAP
2	362	0.70	0.82	42	NAP
3	75	0.49	0.83	20	empty
4	68	0.33	0.75	23	empty

Compared structures

3QKZ · Crystal structure of mutant His269Arg AKR1B14 · 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 3QKZ · PDBe 3QKZ · UniProt Q5RJP0

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