MolNFT v1 · #102598 · protein

Streptomcyes albus JA3453 oxazolomycin ketosynthase domain ozmq KS1

4OQJ · Pks: “Streptomcyes albus JA3453 oxazolomycin ketosynthase domain ozmq KS1”. X-ray diffraction, 2 ligands (K, PO4), 9 pockets (best druggability 0.72). MolNFT v1 #102598 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4OQJ
Type: protein
Length: 681 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pks
UniProt: B2WW50
Ligands: K, PO4
Pockets: 9 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pks	protein	681	39% helix, 18% strand	B2WW50

Ligands and binding sites

K · Potassium ion · metal · chains A
PO4 · Phosphate ion · ion · chains A
GOL · Glycerol · additive · chains A

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

Pockets

9 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	75	0.72	0.97	23	empty
2	317	0.64	0.80	58	GOL
3	357	0.58	0.76	40	empty
4	166	0.51	0.78	22	empty
5	129	0.38	0.74	18	empty

Modifications

Observed in the structure: 7 modified (engineered).

Compared structures

4OQJ · Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmQ KS1 · 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 B2WW50
Elsewhere: RCSB PDB 4OQJ · PDBe 4OQJ · UniProt B2WW50

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