Structure of PDB 7ov2 Chain A Binding Site BS14

Receptor Information

>7ov2 Chain A (length=302) Species: 9823 (Sus scrofa)

TPILRFVAVGDWGGVPNAPFHTAREMANAKAIATTVKTLGADFILSLGDN
FYFTGVHDAKDKRFQETFEDVFSDPSLRNVPWHVLAGNHDHLGNVSAQIA
YSKISKRWNFPSPYYRLRFKIPRSNVSVAIFMLDTVTLCGNSDDFVSQQP
ERPRNLALARTQLAWIKKQLAAAKEDYVLVAGHYPVWSIAEHGPTHCLVK
QLLPLLTTHKVTAYLCGHDHNLQYLQDENGLGFVLSGAGNFMDPSKKHLR
KVPNGYLRFHFGAENSLGGFAYVEITPKEMSVTYIEASGKSLFKTKLPRR
AR

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 7ov2 Chain A Residue 619

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ov2 Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): Y55 N91 H92 H195 H221 H223
• Binding residue (residue number reindexed from 1): Y52 N88 H89 H192 H218 H220
• 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:7ov2, PDBe:7ov2, PDBj:7ov2
• PDBsum: 7ov2
• PubMed: 34331400
• UniProt: P09889|PPA5_PIG Tartrate-resistant acid phosphatase type 5 (Gene Name=ACP5)