MolNFT v1 · #9163 · protein

Crystal structure of beta-ketoacyl-acp synthase III-CoA complex

1HND · Beta-ketoacyl-acyl carrier protein synthase III: “Crystal structure of beta-ketoacyl-acp synthase III-CoA complex”. X-ray diffraction, 1 ligand (COA), 2 pockets (best druggability 0.70). MolNFT v1 #9163 on GenesisL1: 3D structure…

PDB: 1HND
Type: protein
Length: 317 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-ketoacyl-acyl carrier protein synthase III
EC: 2.3.1.41
UniProt: P0A6R0
Ligands: COA
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-ketoacyl-acyl carrier protein synthase III (EC 2.3.1.41)	protein	317	41% helix, 25% strand	P0A6R0

Ligands and binding sites

COA · Coenzyme A · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	245	0.70	0.85	39	COA
2	67	0.28	0.73	20	empty

Compared structures

1HND · Crystal structure of beta-ketoacyl-acp synthase III-CoA complex · the same entry in another collection · chain A against A, TM-score 1.00
P0A6R0 · AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] synthase 3… · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P0A6R0
Elsewhere: RCSB PDB 1HND · PDBe 1HND · UniProt P0A6R0

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