MolNFT v1 · #142606 · protein

Crystal structure of kas III from propionibacterium acnes

6A9N · 3-oxoacyl-[acyl-carrier-protein] synthase 3: “Crystal structure of kas III from propionibacterium acnes”. X-ray diffraction, 1 ligand (K), 5 pockets (best druggability 0.83). MolNFT v1 #142606 on GenesisL1: 3D structure, binding…

PDB: 6A9N
Type: protein
Length: 662 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-oxoacyl-[acyl-carrier-protein] synthase 3
EC: 2.3.1.180
UniProt: A0A2B7IGT3
Ligands: K
Pockets: 5 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	3-oxoacyl-[acyl-carrier-protein] synthase 3 (EC 2.3.1.180)	protein	331	39% helix, 26% strand	A0A2B7IGT3

Ligands and binding sites

K · Potassium ion · metal · 6 copies · chains A, B
GOL · Glycerol · additive · chains B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	148	0.83	0.99	22	K
2	182	0.76	0.91	34	empty
3	213	0.70	0.86	34	empty
4	141	0.45	0.76	19	empty
5	95	0.43	0.79	16	empty

Interfaces

1 interface between chains.

A–B · 3441 Å² buried · 51 hydrogen bonds · protein-protein

Compared structures

6A9N · Crystal structure of KAS III from Propionibacterium acnes · 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 A0A2B7IGT3
Elsewhere: RCSB PDB 6A9N · PDBe 6A9N · UniProt A0A2B7IGT3

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