MolNFT v1 · #129518 · protein

Crystal structure of amycolatopsis cytochrome P450 gcoa in complex with vanillin.

5OMR: “Crystal structure of amycolatopsis cytochrome P450 gcoa in complex with vanillin.”. X-ray diffraction, 2 ligands (HEM, V55), 5 pockets (best druggability 0.86). MolNFT v1 #129518 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 5OMR
Type: protein
Length: 403 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gcoa
Ligands: HEM, V55
Pockets: 5 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gcoa	protein	403	57% helix, 11% strand	—

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
V55 · 4-hydroxy-3-methoxybenzaldehyde · ligand · chains A

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

Pockets

5 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	376	0.86	0.94	45	HEM, V55
2	73	0.39	0.78	23	empty
3	90	0.38	0.77	14	empty
4	60	0.35	0.77	13	empty
5	72	0.31	0.74	13	empty

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 5OMR · PDBe 5OMR

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