Structure of PDB 4pm0 Chain A Binding Site BS01

Receptor Information
>4pm0 Chain A (length=318) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYNGQAKCMLEKVGNWNFDIFLFDRLTNGNSLVSLTFHLFSLHGLIEYFH
LDMMKLRRFLVMIQEDYHSQNPYHNAVHAADVTQAMHCYLKEPKLANSVT
PWDILLSLIAAATHDLDHPGVNQPFLIKTNHYLATLYKNTSVLENHHWRS
AVGLLRESGLFSHLPLESRQQMETQIGALILATDISRQNEYLSLFRSHLD
RGDLCLEDTRHRHLVLQMALKCADICNPCRTWELSKQWSEKVTEEFFHQG
DIEKKYHLGVSPLCDRHTESIANIQIGFMTYLVEPLFTEWARFSNTRLSQ
TMLGHVGLNKASWKGLQR
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 chain4pm0 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pm0 Discovery of 2-(Cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one Derivatives as a New Series of Potent Phosphodiesterase 7 Inhibitors.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H216 H252 D253 D362
Binding residue
(residue number reindexed from 1)		H78 H114 D115 D224
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S169 A250
Catalytic site (residue number reindexed from 1) S31 A112
Enzyme Commision number 3.1.4.53: 3',5'-cyclic-AMP phosphodiesterase.
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:4pm0, PDBe:4pm0, PDBj:4pm0
PDBsum4pm0
PubMed25383422
UniProtQ13946|PDE7A_HUMAN High affinity 3',5'-cyclic-AMP phosphodiesterase 7A (Gene Name=PDE7A)

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