MolNFT v1 · #96633 · protein

Structure of wild type pseudomonas aeruginosa fabf (kasii) in complex with ligand

4JPF · 3-oxoacyl-[acyl-carrier-protein] synthase 2: “Structure of wild type pseudomonas aeruginosa fabf (kasii) in complex with ligand”. X-ray diffraction, 3 ligands (1LR, MG, K), 1 pocket (best druggability 0.57). MolNFT v1 #96633 on…

PDB: 4JPF
Type: protein
Length: 411 residues
Chains: 1
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: G3XDA2
Ligands: 1LR, MG, K
Pockets: 1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-oxoacyl-[acyl-carrier-protein] synthase 2 (EC 2.3.1.179)	protein	411	38% helix, 21% strand	G3XDA2

Ligands and binding sites

1LR · 3-(benzoylamino)-2-hydroxybenzoic acid · ligand · chains A
MG · Magnesium ion · metal · chains A
K · Potassium ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	126	0.57	0.83	37	empty

Compared structures

4JPF · Structure of wild type Pseudomonas aeruginosa FabF (KASII) in Complex with ligand · 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 G3XDA2
Elsewhere: RCSB PDB 4JPF · PDBe 4JPF · UniProt G3XDA2

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