MolNFT v1 · #29810 · protein

Structure of R-specific alcohol dehydrogenase (wildtype) from lactobacillus brevis in complex with acetophenone and NADP

1ZK4: “Structure of R-specific alcohol dehydrogenase (wildtype) from lactobacillus brevis in complex with…”. X-ray diffraction, 3 ligands (NAP, AC0, MG), 1 pocket (best druggability 0.72). MolNFT v1 #29810 on GenesisL1: 3D structure…

PDB: 1ZK4
Type: protein
Length: 251 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: R-specific alcohol dehydrogenase
EC: 1.1.1.2
UniProt: Q84EX5
Ligands: NAP, AC0, MG
Pockets: 1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	R-specific alcohol dehydrogenase (EC 1.1.1.2)	protein	251	47% helix, 16% strand	Q84EX5

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
AC0 · 1-phenylethanone · ligand · chains A
MG · Magnesium ion · metal · 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	631	0.72	0.79	47	NAP, AC0

Compared structures

1ZK4 · Structure of R-specific alcohol dehydrogenase (wildtype) from Lactobacillus brevis in… · 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 Q84EX5
Elsewhere: RCSB PDB 1ZK4 · PDBe 1ZK4 · UniProt Q84EX5

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