MolNFT v1 · #86904 · protein

Enoyl-acp reductase from yersinia pestis (wildtype, removed HISTAG)WITH cofactor NADH

4BKR · Putative reductase YPZ3_3519: “Enoyl-acp reductase from yersinia pestis (wildtype, removed HISTAG)WITH cofactor NADH”. X-ray diffraction, 2 ligands (NAI, NA), 3 pockets (best druggability 0.81). MolNFT v1 #86904 on GenesisL1: 3D…

PDB: 4BKR
Type: protein
Length: 404 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: G0JFF6
Ligands: NAI, NA
Pockets: 3 · best druggability 0.81

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	404	42% helix, 18% strand	G0JFF6

Ligands and binding sites

NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · chains A
NA · Sodium ion · metal · chains A
GOL · Glycerol · additive · 2 copies · chains A
DMS · Dimethyl sulfoxide · additive · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	832	0.81	0.84	85	NAI, GOL, DMS, NA
2	146	0.46	0.77	22	empty
3	53	0.26	0.73	18	empty

Compared structures

4BKR · Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH · 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 G0JFF6
Elsewhere: RCSB PDB 4BKR · PDBe 4BKR · UniProt G0JFF6

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