MolNFT v1 · #178414 · protein

Diarylpentanoid-producing polyketide synthase (A210E mutant)

7FFC · Type III polyketide synthase: “Diarylpentanoid-producing polyketide synthase (A210E mutant)”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #178414 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7FFC
Type: protein
Length: 3,112 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Type III polyketide synthase
UniProt: A0A385MEG6
Pockets: 20 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H	Type III polyketide synthase	protein	389	39% helix, 22% strand	A0A385MEG6

Ligands and binding sites

GOL · Glycerol · additive · 15 copies · chains A, B, F, C, G, D, E, H

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	286	0.78	0.89	43	empty
2	229	0.77	0.90	37	empty
3	710	0.76	0.81	68	empty
4	1053	0.76	0.78	99	empty
5	1144	0.75	0.78	91	empty

Interfaces

11 interfaces between chains.

C–G · 2827 Å² buried · 50 hydrogen bonds · protein-protein
B–F · 2790 Å² buried · 45 hydrogen bonds · protein-protein
A–E · 572 Å² buried · 1 hydrogen bond · protein-protein
A–G · 435 Å² buried · 5 hydrogen bonds · protein-protein
B–H · 432 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

7FFC · Diarylpentanoid-producing polyketide synthase (A210E mutant) · 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 A0A385MEG6
Elsewhere: RCSB PDB 7FFC · PDBe 7FFC · UniProt A0A385MEG6

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