Structure of PDB 3v94 Chain C Binding Site BS02

Receptor Information
>3v94 Chain C (length=333) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISTRRLPPSIVQDTILAVVPPKSCAAIGTDVDLRDWGFDTFEVASRVPSV
LQSVAMHVALAWDFFASQEEAQKWAFLVAAVENNYRPNPYHNAIHAADVL
QGTFSLVSAAKPLMEHLTPLECKAAAFAALTHDVCHPGRTNAFLAAVQDP
VSFKFSGKGTLEQLHTATAFELLNVTEFDFTSSMDNASFLEFKNIVSHLI
GHTDMSLHSETVAKHGAKLSAGGFDCTCKEDRLEALSLLLHAADIGASSR
GVAIARKWLVILQEFADQAEDERRRGLPVTPGFETPSSVEKSQIPFLDFF
VIPTFDLLHQLFPSIEEPLHNLRKLRELYAAKA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3v94 Chain C Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3v94 TcrPDEC1 catalytic domain in complex with inhibitor wyq16
Resolution2.33 Å
Binding residue
(original residue number in PDB)		H372 H409 D410 D521
Binding residue
(residue number reindexed from 1)		H95 H132 D133 D244
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.-
Gene Ontology
Molecular Function
GO:0004114 3',5'-cyclic-nucleotide phosphodiesterase activity
GO:0008081 phosphoric diester hydrolase activity
Biological Process
GO:0007165 signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:3v94, PDBe:3v94, PDBj:3v94
PDBsum3v94
PubMed
UniProtQ53I60

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