MolNFT v1 · #2570 · protein

Crystal structure of D-amino acid oxidase in complex with two anthranylate molecules

1C0I: “Crystal structure of D-amino acid oxidase in complex with two anthranylate molecules”. X-ray diffraction, 2 ligands (BE2, FAD), 2 pockets (best druggability 0.81). MolNFT v1 #2570 on GenesisL1: 3D structure, binding sites and…

PDB: 1C0I
Type: protein
Length: 363 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: D-amino acid oxidase
EC: 1.4.3.3
UniProt: P80324
Ligands: BE2, FAD
Pockets: 2 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	D-amino acid oxidase (EC 1.4.3.3)	protein	363	30% helix, 28% strand	P80324

Ligands and binding sites

BE2 · 2-aminobenzoic acid · ligand · 2 copies · chains A
FAD · Flavin-adenine dinucleotide · ligand · chains A

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

Pockets

2 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	706	0.81	0.85	87	FAD, BE2
2	50	0.38	0.81	13	empty

Compared structures

1C0I · Crystal structure of D-amino acid oxidase in complex with two anthranylate molecules · the same entry in another collection · chain A against A, TM-score 1.00
P80324 · AlphaFold monomer V2.0 prediction for D-amino-acid oxidase (P80324) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P80324
Elsewhere: RCSB PDB 1C0I · PDBe 1C0I · UniProt P80324

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