MolNFT v1 · #61069 · protein

Crystal structure of allene oxide synthase

3DAN · Cytochrome P450 74A2: “Crystal structure of allene oxide synthase”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.84). MolNFT v1 #61069 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3DAN
Type: protein
Length: 473 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
Pockets: 4 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 74A2 (EC 4.2.1.92)	protein	473	54% helix, 11% strand	Q40778

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A

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

Pockets

4 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	1077	0.84	0.85	92	HEM
2	129	0.41	0.74	20	empty
3	57	0.29	0.74	15	empty
4	55	0.25	0.73	18	empty

Compared structures

3DAN · 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 3DAN · PDBe 3DAN · UniProt Q40778

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