MolNFT v1 · #184901 · protein

Heme domain of CYP505A30, a fungal hydroxylase from myceliophthora thermophila, bound to dodecanoic acid

7P6L · Bifunctional cytochrome P450/NADPH--P450 reductase: “Heme domain of CYP505A30, a fungal hydroxylase from myceliophthora thermophila, bound to dodecanoic acid”. X-ray diffraction, 2 ligands (HEM, DAO), 20 pockets (best druggability…

PDB: 7P6L
Type: protein
Length: 1,832 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bifunctional cytochrome P450/NADPH--P450 reductase
EC: 1.14.14.1, 1.6.2.4
UniProt: G2QDZ3
Ligands: HEM, DAO
Pockets: 20 · best druggability 0.89

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A, C, D	Bifunctional cytochrome P450/NADPH--P450 reductase (EC 1.14.14.1, 1.6.2.4)	protein	458	56% helix, 12% strand	G2QDZ3

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains B, A, C, D
DAO · Lauric acid · ligand · 4 copies · chains B, A, C, D

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

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1124	0.89	0.90	119	HEM, DAO
2	1146	0.87	0.88	125	HEM, DAO
3	595	0.87	0.91	79	HEM, DAO
4	633	0.86	0.90	86	HEM, DAO
5	515	0.67	0.78	45	empty

Interfaces

4 interfaces between chains.

C–D · 842 Å² buried · 24 hydrogen bonds · protein-protein
B–A · 839 Å² buried · 23 hydrogen bonds · protein-protein
A–C · 778 Å² buried · 6 hydrogen bonds · protein-protein
B–D · 744 Å² buried · 5 hydrogen bonds · protein-protein

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 G2QDZ3
Elsewhere: RCSB PDB 7P6L · PDBe 7P6L · UniProt G2QDZ3

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