MolNFT v1 · #189150 · protein

Crystal structure of a enzyme from rhodococcus coprophilus in complex with S4

7V46 · P450TOL monooxygenase: “Crystal structure of a enzyme from rhodococcus coprophilus in complex with S4”. X-ray diffraction, 3 ligands (C4U, HEM, PO4), 4 pockets (best druggability 0.87). MolNFT v1 #189150 on GenesisL1: 3D structure…

PDB: 7V46
Type: protein
Length: 431 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: P450TOL monooxygenase
UniProt: A0A088FL33
Ligands: C4U, HEM, PO4
Pockets: 4 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	P450TOL monooxygenase	protein	431	51% helix, 11% strand	A0A088FL33

Ligands and binding sites

C4U · 1-chloranyl-3-methyl-benzene · ligand · chains A
HEM · Protoporphyrin IX containing Fe · ligand · chains A
PO4 · Phosphate ion · ion · 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	378	0.87	0.95	52	C4U, HEM
2	213	0.66	0.84	40	empty
3	89	0.58	0.87	22	empty
4	203	0.53	0.78	31	empty

Compared structures

7V46 · Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus… · 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 A0A088FL33
Elsewhere: RCSB PDB 7V46 · PDBe 7V46 · UniProt A0A088FL33

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