MolNFT v1 · #52981 · protein

Crystal structure of the G243A mutant of CYP130 from M. tuberculosis

2WGY · Cytochrome P450 130: “Crystal structure of the G243A mutant of CYP130 from M. tuberculosis”. X-ray diffraction, 2 ligands (HEM, SO4), 2 pockets (best druggability 0.82). MolNFT v1 #52981 on GenesisL1: 3D structure, binding sites and…

PDB: 2WGY
Type: protein
Length: 394 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450 130
EC: 1.14.-.-
UniProt: Q11062
Ligands: HEM, SO4
Pockets: 2 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 130 (EC 1.14.-.-)	protein	394	53% helix, 9% strand	Q11062

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
SO4 · Sulfate ion · ion · 4 copies · chains A
IPA · Isopropyl alcohol · additive · 5 copies · chains A

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

Pockets

2 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	749	0.82	0.85	75	HEM
2	72	0.30	0.73	16	empty

Compared structures

2WGY · Crystal structure of the G243A mutant of CYP130 from M. tuberculosis · 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 Q11062
Elsewhere: RCSB PDB 2WGY · PDBe 2WGY · UniProt Q11062

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