MolNFT v1 · #155095 · protein

Crystal structure of GRE2 in complex with NADPH complex from candida albicans

6KWT · Methylglyoxal reductase (NADPH-dependent): “Crystal structure of GRE2 in complex with NADPH complex from candida albicans”. X-ray diffraction, 1 ligand (NDP), 1 pocket (best druggability 0.77). MolNFT v1 #155095 on GenesisL1: 3D…

PDB: 6KWT
Type: protein
Length: 338 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methylglyoxal reductase (NADPH-dependent)
UniProt: Q5ABT9
Ligands: NDP
Pockets: 1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Methylglyoxal reductase (NADPH-dependent)	protein	338	43% helix, 16% strand	Q5ABT9

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	809	0.77	0.81	75	NDP

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

6KWT · Crystal structure of Gre2 in complex with NADPH complex from Candida albicans · 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 Q5ABT9
Elsewhere: RCSB PDB 6KWT · PDBe 6KWT · UniProt Q5ABT9

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