Structure of PDB 2g09 Chain B Binding Site BS03

Receptor Information
>2g09 Chain B (length=291) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVHLKMMPEFQKSSVRIKNPTRVEEIICGLIKGGAAKLQIITDFDMTLSR
FSYNGKRCPTCHNIIDNCKLVTDECRRKLLQLKEQYYAIEVDPVLTVEEK
FPYMVEWYTKSHGLLIEQGIPKAKLKEIVADSDVMLKEGYENFFGKLQQH
GIPVFIFSAGIGDVLEEVIRQAGVYHSNVKVVSNFMDFDENGVLKGFKGE
LIHVFNKHDGALKNTDYFSQLKDNSNIILLGDSQGDLRMADGVANVEHIL
KIGYLNDRVDELLEKYMDSYDIVLVKEESLEVVNSILQKTL
Ligand information
Ligand IDPIN
InChIInChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)
InChIKeyIHPYMWDTONKSCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1
OpenEye OEToolkits 1.5.0C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O
CACTVS 3.341O[S](=O)(=O)CCN1CCN(CC1)CC[S](O)(=O)=O
FormulaC8 H18 N2 O6 S2
NamePIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID);
PIPES;
1,4-PIPERAZINEDIETHANESULFONIC ACID
ChEMBL
DrugBank
ZINCZINC000019364835
PDB chain2g09 Chain B Residue 906 [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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PDB2g09 Structure of pyrimidine 5'-nucleotidase type 1. Insight into mechanism of action and inhibition during lead poisoning.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q294 K295 L297
Binding residue
(residue number reindexed from 1)		Q288 K289 L291
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.5: 5'-nucleotidase.
3.1.3.91: 7-methylguanosine nucleotidase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008253 5'-nucleotidase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2g09, PDBe:2g09, PDBj:2g09
PDBsum2g09
PubMed16672222
UniProtQ9D020|5NT3A_MOUSE Cytosolic 5'-nucleotidase 3A (Gene Name=Nt5c3a)

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