Structure of PDB 7ov3 Chain A Binding Site BS03

Receptor Information
>7ov3 Chain A (length=302) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTPILRFVAVGDWGGVPNAPFHTAREMANAKAIATTVKTLGADFILSLGD
NFYFTGVHDAKDKRFQETFEDVFSDPSLRNVPWHVLAGNHDHLGNVSAQI
AYSKISKRWNFPSPYYRLRFKIPRSNVSVAIFMLDTVTLCGNSDDFVSQQ
PERPRNLALARTQLAWIKKQLAAAKEDYVLVAGHYPVWSIAEHGPTHCLV
KQLLPLLTTHKVTAYLCGHDHNLQYLQDENGLGFVLSGAGNFMDPSKKHL
RKVPNGYLRFHFGAENSLGGFAYVEITPKEMSVTYIEASGKSLFKTKLPR
RA
Ligand information
Ligand IDR2J
InChIInChI=1S/C10H13N3/c1-11-7-9-8-5-3-4-6-10(8)13(2)12-9/h3-6,11H,7H2,1-2H3
InChIKeyXDQYKASLVAVERE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c2c1n(C)nc(c1ccc2)CNC
OpenEye OEToolkits 2.0.7CNCc1c2ccccc2n(n1)C
CACTVS 3.385CNCc1nn(C)c2ccccc12
FormulaC10 H13 N3
NameN-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine
ChEMBL
DrugBank
ZINCZINC000005177586
PDB chain7ov3 Chain A Residue 410 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ov3 Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K249 H263 F264 G265 A266
Binding residue
(residue number reindexed from 1)		K247 H261 F262 G263 A264
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ov3, PDBe:7ov3, PDBj:7ov3
PDBsum7ov3
PubMed34331400
UniProtP09889|PPA5_PIG Tartrate-resistant acid phosphatase type 5 (Gene Name=ACP5)

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