MolNFT v1 · #81761 · protein

Crystal structure of a putative ketoacyl reductase (FABG4) from mycobacterium tuberculosis H37RV at 1.9 ångström resolution

3V1T · 3-oxoacyl-(acyl-carrier-protein) reductase: “Crystal structure of a putative ketoacyl reductase (FABG4) from mycobacterium tuberculosis H37RV at 1.9…”. X-ray diffraction, 9 pockets (best druggability 0.75). MolNFT v1 #81761 on…

PDB: 3V1T
Type: protein
Length: 816 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-oxoacyl-(acyl-carrier-protein) reductase
EC: 1.1.1.100
UniProt: O53665
Pockets: 9 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C	3-oxoacyl-(acyl-carrier-protein) reductase (EC 1.1.1.100)	protein	407	42% helix, 19% strand	O53665
D	3-oxoacyl-(acyl-carrier-protein) reductase (EC 1.1.1.100)	protein	409	42% helix, 19% strand	O53665

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1023	0.75	0.78	60	empty
2	124	0.70	0.91	26	empty
3	143	0.69	0.89	26	empty
4	630	0.65	0.75	73	empty
5	393	0.59	0.76	51	empty

Interfaces

1 interface between chains.

C–D · 2825 Å² buried · 30 hydrogen bonds · protein-protein

Compared structures

3V1T · Crystal structure of a putative ketoacyl reductase (FabG4) from Mycobacterium… · the same entry in another collection · chain C against C, 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 O53665
Elsewhere: RCSB PDB 3V1T · PDBe 3V1T · UniProt O53665

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