MolNFT v1 · #498 · protein

Native 2,5-diketo-D-gluconic acid reductase a from corynbacterium sp. complexed with NADPH

1A80: “Native 2,5-diketo-D-gluconic acid reductase a from corynbacterium sp. complexed with NADPH”. X-ray diffraction, 1 ligand (NDP), 1 pocket (best druggability 0.62). MolNFT v1 #498 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 1A80
Type: protein
Length: 277 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2,5-diketo-D-gluconic acid reductase a
UniProt: P06632
Ligands: NDP
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	2,5-diketo-D-gluconic acid reductase a	protein	277	45% helix, 16% strand	P06632

Ligands and binding sites

NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 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	273	0.62	0.80	36	NDP

Compared structures

1A80 · Native 2,5-DIKETO-D-GLUCONIC acid reductase a from CORYNBACTERIUM SP. complexed with nadph · the same entry in another collection · chain A against A, TM-score 1.00
P06632 · AlphaFold monomer V2.0 prediction for 2,5-diketo-D-gluconic acid reductase a (P06632) · a predicted model of the same protein · 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 P06632
Elsewhere: RCSB PDB 1A80 · PDBe 1A80 · UniProt P06632

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