Structure of PDB 6c02 Chain A Binding Site BS01

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 IDFUC
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBLCHEMBL1232862
DrugBankDB04473
ZINCZINC000001532814
PDB chain6c02 Chain G Residue 3 [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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PDB6c02 Structural basis for nucleotide recognition by the ectoenzyme CD203c.
Resolution1.942 Å
Binding residue
(original residue number in PDB)		H579 V661 D703 Y706
Binding residue
(residue number reindexed from 1)		H523 V605 D647 Y650
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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