Structure of PDB 6c02 Chain A Binding Site BS04

Receptor Information
>6c02 Chain A (length=815) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSCRKKCFDASFRGLENCRCDVACKDRGDCCWDFEDTCVESTRIWMCNKF
RCGETRLEASLCSCSDDCLQRKDCCADYKSVCQGETSWLEENCDQCPEGF
DLPPVILFSMDGFRAEYLYTWDTLMPNINKLKTCGIHSKYMRAMYPTKAF
PNHYTIVTGLYPESHGIIDNNMYDVNLNKNFSLSSKEQNNPAWWHGQPMW
LTAMYQGLKAATYFWPGSEVAINGSFPSIYMPYNGSVPFEERISTLLKWL
DLPKAERPRFYTMYFEEPDSSGHAGGPVSARVIKALQVVDHAFGMLMEGL
KQRNLHNCVNIILLADHGMDQTYCNKMEYMTDYFPRINFFYMYEGPAPRI
RAHNIPHDFFSFNSEEIVRNLSCRKPDQHFKPYLTPDLPKRLHYAKNVRI
DKVHLFVDQQWLAVRSKSNTNCGGGNHGYNNEFRSMEAIFLAHGPSFKEK
TEVEPFENIEVYNLMCDLLRIQPAPNNGTHGSLNHLLKVPFYEPSHAEEV
SKFSVCGFANPLPTESLDCFCPHLQNSTQLEQVNQMLSLTQEEITATVKV
NLPFGRPRVLQKNVDHCLLYHREYVSGFGKAMRMPMWSSYTVPQLGDTSP
LPPTVPDCLRADVRVPPSESQKCSFYLADKNITHGFLYPPASNRTSDSQY
DALITSNLVPMYEEFRKMWDYFHSVLLIKHATERNGVNVVSGPIFDYNYD
GHFDAPDEITKHLANTDVPIPTHYFVVLTSCKNKSHTPENCPGWLDVLPF
IIPHRPTNVESCPEGKPEALWVEERFTAHIARVRDVELLTGLDFYQDKVQ
PVSEILQLKTYLPTF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6c02 Chain A Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6c02 Structural basis for nucleotide recognition by the ectoenzyme CD203c.
Resolution1.942 Å
Binding residue
(original residue number in PDB)		D752 N754 D756 H758 F759 D760
Binding residue
(residue number reindexed from 1)		D696 N698 D700 H702 F703 D704
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.1: phosphodiesterase I.
3.6.1.9: nucleotide diphosphatase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004081 bis(5'-nucleosyl)-tetraphosphatase (asymmetrical) activity
GO:0004528 phosphodiesterase I activity
GO:0005509 calcium ion binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0034432 bis(5'-adenosyl)-pentaphosphatase activity
GO:0036219 GTP diphosphatase activity
GO:0036221 UTP diphosphatase activity
GO:0046872 metal ion binding
GO:0047429 nucleoside triphosphate diphosphatase activity
GO:0047693 ATP diphosphatase activity
GO:0047710 bis(5'-adenosyl)-triphosphatase activity
Biological Process
GO:0002276 basophil activation involved in immune response
GO:0006220 pyrimidine nucleotide metabolic process
GO:0006796 phosphate-containing compound metabolic process
GO:0009143 nucleoside triphosphate catabolic process
GO:0030505 inorganic diphosphate transport
GO:0033007 negative regulation of mast cell activation involved in immune response
GO:0046034 ATP metabolic process
GO:0050728 negative regulation of inflammatory response
GO:0055062 phosphate ion homeostasis
GO:0070667 negative regulation of mast cell proliferation
Cellular Component
GO:0005576 extracellular region
GO:0005886 plasma membrane
GO:0009897 external side of plasma membrane
GO:0016324 apical plasma membrane
GO:0048471 perinuclear region of cytoplasm
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6c02, PDBe:6c02, PDBj:6c02
PDBsum6c02
PubMed29717535
UniProtO14638|ENPP3_HUMAN Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Gene Name=ENPP3)

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