› 9izl

X-ray diffraction
2.28Å resolution

hVanin-1 complexed with X17

Released:
DOI: 10.2210/pdb9izl/pdb
Model geometry
Fit model/data
PDB entry 9izl coloured by chain, front view.
PDB entry 9izl coloured by chain, side view.
PDB entry 9izl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Thiazole Carboxamides as Novel Vanin-1 Inhibitors for Inflammatory Bowel Disease Treatment.
Xie T, Cao GY, Zhang S, Li MK, Jin X, Liu L, Wang G, Zhen L
J Med Chem 67 20372-20398 (2024)
PMID: 39514323

Function and Biology Details

Reaction catalysed: 
(R)-pantetheine + H(2)O = (R)-pantothenate + 2-aminoethanethiol
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-131943 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pantetheinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 462 amino acids
Theoretical weight: 51.59 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: O95497 (Residues: 22-483; Coverage: 94%)
Gene name: VNN1
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand A1EAG 2 x A1EAG
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL02U1
Spacegroup: P212121
Unit cell:
a: 58.823Å b: 92.98Å c: 218.923Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.215 0.26
Expression system: Homo sapiens

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