MolNFT v1 · #86903 · protein

Enoyl-acp reductase from yersinia pestis (WILDTYPE)WITH cofactor NADH

4BKQ · Putative reductase YPZ3_3519: “Enoyl-acp reductase from yersinia pestis (WILDTYPE)WITH cofactor NADH”. X-ray diffraction, 1 ligand (NAI), 3 pockets (best druggability 0.80). MolNFT v1 #86903 on GenesisL1: 3D structure, binding sites…

PDB: 4BKQ
Type: protein
Length: 415 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative reductase YPZ3_3519
EC: 1.3.1.-, 1.3.1.9
UniProt: Q8Z9U1
Ligands: NAI
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative reductase YPZ3_3519 (EC 1.3.1.-, 1.3.1.9)	protein	415	42% helix, 18% strand	Q8Z9U1

Ligands and binding sites

NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · chains A

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

Pockets

3 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	651	0.80	0.85	64	NAI
2	161	0.65	0.86	24	empty
3	141	0.47	0.77	26	empty

Compared structures

4BKQ · Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH · the same entry in another collection · chain A against A, TM-score 1.00
Q8Z9U1 · AlphaFold monomer V2.0 prediction for enoyl-[acyl-carrier-protein] reductase [NADH]… · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q8Z9U1
Elsewhere: RCSB PDB 4BKQ · PDBe 4BKQ · UniProt Q8Z9U1

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