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Crystal structure of allene oxide synthase

Analyse Crystal structure of allene oxide synthase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3DBM
Type: protein
Length: 467 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450 74A2
EC: 4.2.1.92
UniProt: Q40778
Ligands: HEM, HO2
Pockets: 3 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 74A2 (EC 4.2.1.92)	protein	467	50% helix, 10% strand	Q40778

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
HO2 · (9E,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid · 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	1051	0.84	0.84	85	HEM, HO2
2	143	0.40	0.73	26	empty
3	55	0.29	0.75	15	empty

Compared structures

3DBM · Crystal Structure of Allene oxide synthase · the same entry in another collection · chain A against A, TM-score 1.00
Q40778 · AlphaFold monomer V2.0 prediction for allene oxide synthase (Q40778) · 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 Q40778
Elsewhere: RCSB PDB 3DBM · PDBe 3DBM · UniProt Q40778

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