MolNFT v1 · #155310 · protein

Cytochrome P450 107G1 (rapn)

6L39: “Cytochrome P450 107G1 (rapn)”. X-ray diffraction, 2 ligands (HEM, PO4), 9 pockets (best druggability 0.81). MolNFT v1 #155310 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6L39
Type: protein
Length: 759 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450
UniProt: A0A0A0NSZ7
Ligands: HEM, PO4
Pockets: 9 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450	protein	381	48% helix, 9% strand	A0A0A0NSZ7
B	Cytochrome P450	protein	378	48% helix, 10% strand	A0A0A0NSZ7

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 2 copies · chains B
PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A

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

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	984	0.81	0.82	84	HEM, PEG
2	1152	0.80	0.82	104	empty
3	1168	0.79	0.81	86	HEM, PO4
4	93	0.44	0.79	17	empty
5	109	0.39	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 810 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

6L39 · Cytochrome P450 107G1 (RapN) · 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 A0A0A0NSZ7
Elsewhere: RCSB PDB 6L39 · PDBe 6L39 · UniProt A0A0A0NSZ7

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