MolNFT v1 · #142340 · protein

Mandelate oxidase mutant-Y128F with benzoylformic acid

6A19 · 4-hydroxymandelate oxidase: “Mandelate oxidase mutant-Y128F with benzoylformic acid”. X-ray diffraction, 2 ligands (173, FMN), 3 pockets (best druggability 0.75). MolNFT v1 #142340 on GenesisL1: 3D structure, binding sites and…

PDB: 6A19
Type: protein
Length: 334 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 4-hydroxymandelate oxidase
EC: 1.1.3.46
UniProt: O52792
Ligands: 173, FMN
Pockets: 3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	4-hydroxymandelate oxidase (EC 1.1.3.46)	protein	334	45% helix, 14% strand	O52792

Ligands and binding sites

173 · Benzoyl-formic acid · ligand · 2 copies · chains A
FMN · Flavin mononucleotide · 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	232	0.75	0.89	37	FMN, 173
2	102	0.38	0.75	22	empty
3	71	0.33	0.75	15	empty

Compared structures

6A19 · Mandelate oxidase mutant-Y128F with Benzoylformic acid · the same entry in another collection · chain A against A, TM-score 1.00
O52792 · AlphaFold monomer V2.0 prediction for 4-hydroxymandelate oxidase (O52792) · 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 O52792
Elsewhere: RCSB PDB 6A19 · PDBe 6A19 · UniProt O52792

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