MolNFT v1 · #11306 · protein

P450ERYF/6DEB

1JIO · Cytochrome P450 107A1: “P450ERYF/6DEB”. X-ray diffraction, 2 ligands (HEM, DEB), 3 pockets (best druggability 0.87). MolNFT v1 #11306 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1JIO
Type: protein
Length: 403 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450 107A1
EC: 1.-.-.-
UniProt: Q00441
Ligands: HEM, DEB
Pockets: 3 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 107A1 (EC 1.-.-.-)	protein	403	49% helix, 11% strand	Q00441

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
DEB · 6-deoxyerythronolide B · ligand · chains A

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

Pockets

3 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	852	0.87	0.89	67	HEM, DEB
2	120	0.43	0.77	18	empty
3	56	0.32	0.77	14	empty

Compared structures

1JIO · P450eryF/6DEB · the same entry in another collection · chain A against A, TM-score 1.00
Q00441 · AlphaFold monomer V2.0 prediction for 6-deoxyerythronolide B hydroxylase (Q00441) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q00441
Elsewhere: RCSB PDB 1JIO · PDBe 1JIO · UniProt Q00441

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