MolNFT v1 · #93689 · protein

Crystal structure of pyridoxine 4-oxidase - pyridoxamine complex

4HA6: “Crystal structure of pyridoxine 4-oxidase - pyridoxamine complex”. X-ray diffraction, 2 ligands (FAD, PXM), 1 pocket (best druggability 0.83). MolNFT v1 #93689 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4HA6
Type: protein
Length: 508 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pyridoxine 4-oxidase
EC: 1.1.3.12
UniProt: Q5NT46
Ligands: FAD, PXM
Pockets: 1 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pyridoxine 4-oxidase (EC 1.1.3.12)	protein	508	27% helix, 24% strand	Q5NT46

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · chains A
PXM · 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol · ligand · chains A
GOL · Glycerol · additive · 7 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	643	0.83	0.88	90	FAD, GOL, PXM

Modifications

Observed in the structure: 2 modified (artifact).

Compared structures

4HA6 · Crystal structure of pyridoxine 4-oxidase - pyridoxamine complex · the same entry in another collection · chain A against A, TM-score 1.00

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 Q5NT46
Elsewhere: RCSB PDB 4HA6 · PDBe 4HA6 · UniProt Q5NT46

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