MolNFT v1 · #105238 · protein

Streptomyces platensis isomigrastatin ketosynthase domain mgse KS3

4QYR · At-less polyketide synthase: “Streptomyces platensis isomigrastatin ketosynthase domain mgse KS3”. X-ray diffraction, 1 ligand (CL), 6 pockets (best druggability 0.70). MolNFT v1 #105238 on GenesisL1: 3D structure, binding sites and…

PDB: 4QYR
Type: protein
Length: 590 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: At-less polyketide synthase
UniProt: D0U2E3
Ligands: CL
Pockets: 6 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	At-less polyketide synthase	protein	590	37% helix, 19% strand	D0U2E3

Ligands and binding sites

CL · Chloride ion · ion · chains A
GOL · Glycerol · additive · chains A
ACY · Acetic acid · additive · chains A

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

Pockets

6 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	55	0.70	0.97	20	empty
2	655	0.69	0.77	52	CL
3	637	0.68	0.77	62	empty
4	253	0.66	0.83	44	empty
5	103	0.50	0.82	27	empty

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

4QYR · Streptomyces platensis isomigrastatin ketosynthase domain MgsE KS3 · 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 D0U2E3
Elsewhere: RCSB PDB 4QYR · PDBe 4QYR · UniProt D0U2E3

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