MolNFT v1 · #54308 · protein

Crystal structure of mycobacterium tuberculosis CYP142: a novel cholesterol oxidase

2XKR · Putative cytochrome P450 142: “Crystal structure of mycobacterium tuberculosis CYP142: a novel cholesterol oxidase”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.85). MolNFT v1 #54308 on GenesisL1: 3D structure…

PDB: 2XKR
Type: protein
Length: 395 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative cytochrome P450 142
EC: 1.14.-.-
UniProt: O53563
Ligands: HEM
Pockets: 4 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative cytochrome P450 142 (EC 1.14.-.-)	protein	395	51% helix, 10% strand	O53563

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
PG4 · Tetraethylene glycol · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	438	0.85	0.92	57	HEM, PG4
2	150	0.65	0.87	26	empty
3	67	0.33	0.76	18	empty
4	51	0.28	0.74	13	empty

Compared structures

2XKR · Crystal Structure of Mycobacterium tuberculosis CYP142: A novel cholesterol oxidase · 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 O53563
Elsewhere: RCSB PDB 2XKR · PDBe 2XKR · UniProt O53563

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