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Crystal structure of the C-terminal type III polyketide synthase (pks III) domain of 'STEELY1' (a type I/III pks hybrid from dictyostelium)

Analyse Crystal structure of the C-terminal type III polyketide synthase (pks III)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2H84
Type: protein
Length: 726 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: STEELY1
UniProt: Q55E72
Pockets: 8 · best druggability 0.79

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	STEELY1	protein	363	42% helix, 23% strand	Q55E72

Ligands and binding sites

P6G · Hexaethylene glycol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	313	0.79	0.89	48	P6G
2	115	0.78	0.97	22	empty
3	156	0.65	0.86	26	empty
4	220	0.54	0.78	28	empty
5	118	0.54	0.83	19	empty

Interfaces

1 interface between chains.

A–B · 2574 Å² buried · 34 hydrogen bonds · protein-protein

Compared structures

2H84 · Crystal Structure of the C-terminal Type III Polyketide Synthase (PKS III) Domain of… · 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 Q55E72
Elsewhere: RCSB PDB 2H84 · PDBe 2H84 · UniProt Q55E72

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