Structure of PDB 7ov3 Chain A Binding Site BS01

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 408 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7ov3 Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q152 H251 K254
Binding residue
(residue number reindexed from 1)		Q150 H249 K252
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
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)

[Back to BioLiP]