Structure of PDB 7ov8 Chain A Binding Site BS06

Receptor Information
>7ov8 Chain A (length=303) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPTPILRFVAVGDWGGVPNAPFHTAREMANAKAIATTVKTLGADFILSLG
DNFYFTGVHDAKDKRFQETFEDVFSDPSLRNVPWHVLAGNHDHLGNVSAQ
IAYSKISKRWNFPSPYYRLRFKIPRSNVSVAIFMLDTVTLCGNSDDFVSQ
QPERPRNLALARTQLAWIKKQLAAAKEDYVLVAGHYPVWSIAEHGPTHCL
VKQLLPLLTTHKVTAYLCGHDHNLQYLQDENGLGFVLSGAGNFMDPSKKH
LRKVPNGYLRFHFGAENSLGGFAYVEITPKEMSVTYIEASGKSLFKTKLP
RRA
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
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-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain7ov8 Chain A Residue 715 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7ov8 Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D52 Y55 N91 H92 H195 H221 H223
Binding residue
(residue number reindexed from 1)		D51 Y54 N90 H91 H194 H220 H222
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Molecular Function
GO:0003993 acid phosphatase activity
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:7ov8, PDBe:7ov8, PDBj:7ov8
PDBsum7ov8
PubMed34331400
UniProtP09889|PPA5_PIG Tartrate-resistant acid phosphatase type 5 (Gene Name=ACP5)

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