MolNFT v1 · #40055 · protein

Crystal structure of isoniazid-resistant S94A enoyl-ACP(COA) reductase mutant enzyme from mycobacterium tuberculosis in complex with NADH- inh

2IEB · Enoyl-[acyl-carrier-protein] reductase [NADH]: “Crystal structure of isoniazid-resistant S94A enoyl-ACP(COA) reductase mutant enzyme from mycobacterium…”. X-ray diffraction, 1 ligand (ZID), 2 pockets (best druggability 0.78). MolNFT…

PDB: 2IEB
Type: protein
Length: 268 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enoyl-[acyl-carrier-protein] reductase [NADH]
EC: 1.3.1.9
UniProt: P0A5Y6
Ligands: ZID
Pockets: 2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9)	protein	268	46% helix, 14% strand	P0A5Y6

Ligands and binding sites

ZID · Isonicotinic-acetyl-nicotinamide-adenine dinucleotide · ligand · chains A

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

Pockets

2 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	558	0.78	0.84	48	ZID
2	91	0.37	0.76	13	empty

Compared structures

2IEB · Crystal Structure of Isoniazid-resistant S94A ENOYL-ACP(COA) Reductase Mutant Enzyme from… · 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 P0A5Y6
Elsewhere: RCSB PDB 2IEB · PDBe 2IEB · UniProt P0A5Y6

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