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Type III polyketide synthase

Analyse Type III polyketide synthase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3WD7
Type: protein
Length: 802 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Type III polyketide synthases acridone synthase
EC: 2.3.1.159
Ligands: COA, NI, SO4
Pockets: 7 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Type III polyketide synthases acridone synthase (EC 2.3.1.159)	protein	401	42% helix, 23% strand	—

Ligands and binding sites

COA · Coenzyme A · ligand · 2 copies · chains A, B
NI · Nickel (II) ion · metal · 9 copies · chains A, B
SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	353	0.77	0.87	47	COA
2	327	0.77	0.87	44	COA
3	253	0.57	0.78	36	empty
4	259	0.55	0.77	39	empty
5	133	0.44	0.76	18	empty

Interfaces

1 interface between chains.

A–B · 3473 Å² buried · 71 hydrogen bonds · protein-protein

Compared structures

3WD7 · Type III polyketide synthase · 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
Elsewhere: RCSB PDB 3WD7 · PDBe 3WD7

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