MolNFT v1 · #164727 · protein

Crystal structure of klebsiella pneumoniae FABG(NADPH-dependent) NADP- complex at 1.75 a resolution

6T77 · 3-oxoacyl-acp reductase: “Crystal structure of klebsiella pneumoniae FABG(NADPH-dependent) NADP- complex at 1.75 a resolution”. X-ray diffraction, 1 ligand (NAP), 4 pockets (best druggability 0.69). MolNFT v1 #164727 on GenesisL1…

PDB: 6T77
Type: protein
Length: 488 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-oxoacyl-acp reductase
EC: 1.1.1.100
UniProt: W9B6I8
Ligands: NAP
Pockets: 4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	3-oxoacyl-acp reductase (EC 1.1.1.100)	protein	244	53% helix, 16% strand	W9B6I8

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	491	0.69	0.79	50	NAP
2	501	0.65	0.77	48	NAP
3	212	0.52	0.77	24	empty
4	53	0.27	0.74	8	empty

Interfaces

1 interface between chains.

A–B · 1695 Å² buried · 23 hydrogen bonds · protein-protein

Compared structures

6T77 · Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A… · 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 W9B6I8
Elsewhere: RCSB PDB 6T77 · PDBe 6T77 · UniProt W9B6I8

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