MolNFT v1 · #151542 · protein

Cytochrome P450-153 from novosphingobium aromaticivorans

6HQW: “Cytochrome P450-153 from novosphingobium aromaticivorans”. X-ray diffraction, 1 ligand (HEM), 7 pockets (best druggability 0.86). MolNFT v1 #151542 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6HQW
Type: protein
Length: 702 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450
UniProt: Q2GBV5
Ligands: HEM
Pockets: 7 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450	protein	395	48% helix, 11% strand	Q2GBV5
B	Cytochrome P450	protein	307	49% helix, 13% strand	Q2GBV5

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	894	0.86	0.88	96	HEM
2	374	0.79	0.88	48	HEM
3	75	0.71	0.95	20	empty
4	53	0.63	0.94	15	empty
5	79	0.59	0.88	16	empty

Interfaces

1 interface between chains.

A–B · 457 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

6HQW · Cytochrome P450-153 from Novosphingobium aromaticivorans · 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 Q2GBV5
Elsewhere: RCSB PDB 6HQW · PDBe 6HQW · UniProt Q2GBV5

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