MolNFT v1 · #31090 · protein

X-ray crystal structure of W42A,R161A double mutant of mycobacterium tuberculosis beta-ketoacyl-acp synthase III

2AJ9 · 3-oxoacyl-[acyl-carrier-protein] synthase III: “X-ray crystal structure of W42A,R161A double mutant of mycobacterium tuberculosis beta-ketoacyl-acp synthase…”. X-ray diffraction, 7 pockets (best druggability 0.78). MolNFT v1 #31090…

PDB: 2AJ9
Type: protein
Length: 668 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-oxoacyl-[acyl-carrier-protein] synthase III
EC: 2.3.1.41
UniProt: P0A574
Pockets: 7 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	3-oxoacyl-[acyl-carrier-protein] synthase III (EC 2.3.1.41)	protein	334	38% helix, 24% strand	P0A574

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	114	0.78	0.98	32	empty
2	115	0.57	0.84	25	empty
3	136	0.55	0.81	26	empty
4	205	0.52	0.77	32	empty
5	109	0.42	0.77	19	empty

Interfaces

1 interface between chains.

A–B · 3140 Å² buried · 35 hydrogen bonds · protein-protein

Compared structures

2AJ9 · X-ray crystal structure of W42A,R161A double mutant of Mycobacterium tuberculosis… · 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 P0A574
Elsewhere: RCSB PDB 2AJ9 · PDBe 2AJ9 · UniProt P0A574

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