MolNFT v1 · #96141 · protein

Structure of pseudomonas aeruginosa fabf mutant C164Q

4JB6 · 3-oxoacyl-[acyl-carrier-protein] synthase 2: “Structure of pseudomonas aeruginosa fabf mutant C164Q”. X-ray diffraction, 1 ligand (K), 4 pockets (best druggability 0.66). MolNFT v1 #96141 on GenesisL1: 3D structure, binding sites…

PDB: 4JB6
Type: protein
Length: 824 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-oxoacyl-[acyl-carrier-protein] synthase 2
EC: 2.3.1.179
UniProt: O54440
Ligands: K
Pockets: 4 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	3-oxoacyl-[acyl-carrier-protein] synthase 2 (EC 2.3.1.179)	protein	412	37% helix, 21% strand	O54440

Ligands and binding sites

K · Potassium ion · metal · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	177	0.66	0.86	35	empty
2	163	0.65	0.86	37	empty
3	191	0.46	0.75	36	empty
4	60	0.40	0.81	18	empty

Interfaces

1 interface between chains.

A–B · 273 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

4JB6 · Structure of Pseudomonas aeruginosa FabF mutant C164Q · 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 O54440
Elsewhere: RCSB PDB 4JB6 · PDBe 4JB6 · UniProt O54440

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