MolNFT v1 · #24760 · protein

Crystal structure of the reaction intermediate between pyruvate oxidase containing FAD and tpp, and substrate pyruvate

1V5G: “Crystal structure of the reaction intermediate between pyruvate oxidase containing FAD and tpp, and substrate…”. X-ray diffraction, 3 ligands (FAD, HTL, MG), 4 pockets (best druggability 0.71). MolNFT v1 #24760 on GenesisL1: 3D…

PDB: 1V5G
Type: protein
Length: 589 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pyruvate oxidase
EC: 1.2.3.3
Ligands: FAD, HTL, MG
Pockets: 4 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pyruvate oxidase (EC 1.2.3.3)	protein	589	42% helix, 16% strand	—

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · chains A
HTL · 2-acetyl-thiamine diphosphate · ligand · chains A
MG · Magnesium ion · metal · 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	717	0.71	0.78	54	FAD
2	146	0.61	0.84	26	empty
3	58	0.54	0.88	19	empty
4	79	0.54	0.86	17	MG, HTL

Compared structures

1V5G · Crystal Structure of the Reaction Intermediate between Pyruvate oxidase containing FAD… · 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
Elsewhere: RCSB PDB 1V5G · PDBe 1V5G

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