MolNFT v1 · #52418 · protein

CYP51 of M. tuberculosis bound to an inhibitor N-[(1S)-2-methyl-1- (pyridin-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE

2W0A · Cytochrome P450 51: “CYP51 of M. tuberculosis bound to an inhibitor N-[(1S)-2-methyl-1…”. X-ray diffraction, 2 ligands (HEM, CII), 3 pockets (best druggability 0.75). MolNFT v1 #52418 on GenesisL1: 3D structure, binding sites and…

PDB: 2W0A
Type: protein
Length: 424 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450 51
EC: 1.14.13.70
UniProt: P0A512
Ligands: HEM, CII
Pockets: 3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 51 (EC 1.14.13.70)	protein	424	53% helix, 13% strand	P0A512

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
CII · N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide · ligand · chains A

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

Pockets

3 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	572	0.75	0.81	65	HEM, CII
2	79	0.38	0.78	19	empty
3	77	0.36	0.76	18	empty

Compared structures

2W0A · CYP51 of M. tuberculosis bound to an inhibitor… · 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 P0A512
Elsewhere: RCSB PDB 2W0A · PDBe 2W0A · UniProt P0A512

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.