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Crystal structure of streptomyces coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways

Analyse Crystal structure of streptomyces coelicolor A3(2) CYP158A2 from antibiotic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1S1F
Type: protein
Length: 397 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative cytochrome P450
Ligands: HEM, PIM, HG
Pockets: 4 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative cytochrome P450	protein	397	49% helix, 11% strand	—

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
PIM · 4-phenyl-1H-imidazole · ligand · chains A
HG · Mercury (II) ion · metal · 2 copies · chains A
MLA · Malonic acid · additive · 2 copies · chains A
GOL · Glycerol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1052	0.84	0.84	76	HG, HEM, PIM, MLA
2	200	0.49	0.76	30	empty
3	64	0.42	0.81	21	empty
4	94	0.36	0.75	25	empty

Compared structures

1S1F · Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic… · the same entry in another collection · chain A against A, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 1S1F · PDBe 1S1F

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