Structure of PDB 7ov3 Chain A Binding Site BS05

Receptor Information

>7ov3 Chain A (length=302) Species: 9823 (Sus scrofa)

PTPILRFVAVGDWGGVPNAPFHTAREMANAKAIATTVKTLGADFILSLGD
NFYFTGVHDAKDKRFQETFEDVFSDPSLRNVPWHVLAGNHDHLGNVSAQI
AYSKISKRWNFPSPYYRLRFKIPRSNVSVAIFMLDTVTLCGNSDDFVSQQ
PERPRNLALARTQLAWIKKQLAAAKEDYVLVAGHYPVWSIAEHGPTHCLV
KQLLPLLTTHKVTAYLCGHDHNLQYLQDENGLGFVLSGAGNFMDPSKKHL
RKVPNGYLRFHFGAENSLGGFAYVEITPKEMSVTYIEASGKSLFKTKLPR
RA

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 7ov3 Chain A Residue 426

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ov3 Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D52 N91 H186 H221
• Binding residue (residue number reindexed from 1): D50 N89 H184 H219
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.2: acid phosphatase.

Gene Ontology

Molecular Function

• GO:0003993 acid phosphatase activity
• GO:0008198 ferrous iron binding
• GO:0008199 ferric iron binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006826 iron ion transport
• GO:0045453 bone resorption

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:7ov3, PDBe:7ov3, PDBj:7ov3
• PDBsum: 7ov3
• PubMed: 34331400
• UniProt: P09889|PPA5_PIG Tartrate-resistant acid phosphatase type 5 (Gene Name=ACP5)