Structure of PDB 6cpu Chain A Binding Site BS01

Receptor Information
>6cpu Chain A (length=526) Species: 5476 (Candida albicans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAEVLSLVDLEIPQVTDKYYKFDTFKHLICHLFKKTSTETDSNVPIVIIF
PTNTSKLDNLPFSDKSLLIQFFFTHLNILMIQDEGKLYQEISSAKELLTN
RISRVGNWTGTTHFRYSKIAGIIPTMTYILNCNATRSEIATNQLIYLYRL
MIEEINFIELLQDASTTRLSQLCYAVGHWSFPAHNLSNDDLVYCVYLMID
YAIKQVEGFDNIPLNELLAFIFIVRDTYKNGNPFHNFRHAVDVLQACFHF
LIRLGSLPKFKQFVEDPKLDYTEVHDKHTVLIALQEKASLNPIQTLGLLV
AALGHDVGHPGTTNDFMIKFSAPTALLYNDRSVLESYHASLFINKVLRIC
WPDLLTCTIEEKSELTIRSLIISSILATDMGEHNEYVNRLKSFKTHNEIL
NHDNTVKLISALLIKCADISNVTRPLRVSAQWAMVLSREFAEVELLKSVI
KKDIDLDFTKDLTYDDVPHELREILEIQPDIHKGQIFFINLFAENLFNSV
SDLLPQLQYTCDIIMENKLFWLERAK
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 chain6cpu Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cpu Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H278 H349 D350 D462
Binding residue
(residue number reindexed from 1)		H239 H305 D306 D418
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.-
Gene Ontology
Molecular Function
GO:0004114 3',5'-cyclic-nucleotide phosphodiesterase activity
GO:0004115 3',5'-cyclic-AMP phosphodiesterase activity
GO:0008081 phosphoric diester hydrolase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047555 3',5'-cyclic-GMP phosphodiesterase activity
Biological Process
GO:0007165 signal transduction
GO:0019933 cAMP-mediated signaling
GO:0046069 cGMP catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6cpu, PDBe:6cpu, PDBj:6cpu
PDBsum6cpu
PubMed30231198
UniProtQ8NJP9

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