MolNFT v2 · #5181 · protein

Cytochrome P450 14 alpha-sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with 4-phenylimidazole

1E9X · Cytochrome P450 51-like RV0764C: “Cytochrome P450 14 alpha-sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with…”. X-ray diffraction at 2.1, 2 ligands (HEM, PIM), 4 pockets (best druggability 0.81). MolNFT v2…

PDB: 1E9X
Type: protein
Length: 449 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.1
Source: MYCOBACTERIUM TUBERCULOSIS
Molecule: Cytochrome P450 51-like RV0764C
UniProt: P77901
Ligands: HEM, PIM
Pockets: 4 · best druggability 0.81

Structure

x-ray diffraction · resolution 2.1 · 1 distinct chain · 52% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 51-like RV0764C	protein	449	52% helix, 12% strand	P77901

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
PIM · 4-phenyl-1H-imidazole · ligand · 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	923	0.81	0.83	94	HEM, PIM
2	72	0.36	0.77	18	empty
3	76	0.34	0.76	22	empty
4	51	0.34	0.79	12	empty

Compared structures

1E9X · Cytochrome P450 14 alpha-sterol demethylase (CYP51) from mycobacterium tuberculosis in… · 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 P77901
Elsewhere: RCSB PDB 1E9X · PDBe 1E9X · UniProt P77901

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