MolNFT v1 · #40954 · protein

Human aldose reductase in complex with NADP and citrate at 0.82 ångström

2J8T · Aldo-keto reductase family 1, member B1: “Human aldose reductase in complex with NADP and citrate at 0.82 ångström”. X-ray diffraction, 1 ligand (NAP), 1 pocket (best druggability 0.69). MolNFT v1 #40954 on GenesisL1: 3D structure…

PDB: 2J8T
Type: protein
Length: 316 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aldo-keto reductase family 1, member B1
EC: 1.1.1.21
UniProt: Q5U031
Ligands: NAP
Pockets: 1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aldo-keto reductase family 1, member B1 (EC 1.1.1.21)	protein	316	39% helix, 15% strand	Q5U031

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
FLC · Citrate anion · additive · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	335	0.69	0.82	48	NAP, FLC

Compared structures

2J8T · Human aldose reductase in complex with NADP and citrate at 0.82 angstrom · 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 Q5U031
Elsewhere: RCSB PDB 2J8T · PDBe 2J8T · UniProt Q5U031

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