MolNFT v1 · #178027 · protein

Crystal structure of polyketide ketosynthase

7F27 · 3-oxoacyl-(acyl-carrier-protein) synthase: “Crystal structure of polyketide ketosynthase”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #178027 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7F27
Type: protein
Length: 1,628 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-oxoacyl-(acyl-carrier-protein) synthase
UniProt: A0A7U3XWE2
Pockets: 20 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, D	3-oxoacyl-(acyl-carrier-protein) synthase	protein	408	38% helix, 21% strand	A0A7U3XWE2
C	3-oxoacyl-(acyl-carrier-protein) synthase	protein	404	38% helix, 22% strand	A0A7U3XWE2

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	417	0.76	0.85	49	empty
2	389	0.76	0.86	50	empty
3	83	0.74	0.96	24	empty
4	73	0.73	0.97	22	empty
5	72	0.73	0.97	19	empty

Interfaces

2 interfaces between chains.

A–B · 2914 Å² buried · 21 hydrogen bonds · protein-protein
C–D · 2813 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

7F27 · Crystal structure of polyketide ketosynthase · 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 A0A7U3XWE2
Elsewhere: RCSB PDB 7F27 · PDBe 7F27 · UniProt A0A7U3XWE2

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