Structure of PDB 6g4g Chain A Binding Site BS01

Receptor Information
>6g4g Chain A (length=765) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSCRKKCFDSSHRGLEGCRCDSGCTDRGDCCWDFEDTCVKSTQIWTCNSF
RCGETRLEAALCSCADDCLQRKDCCTDYKAVCQGEVPWVTEACASSQEPQ
CPEGFDQPPVILFSMDGWSTLLPNINKLKTCGLHSKYMRAVYPTKTFPNH
YTIVTGLYPESHGIIDNNMYDVYLNKNFSLSSVEKSNPAWWSGQPIWLTA
MYQGLKAASYYWPGSDVAVNGSFPNIYRNYSNSVPYESRIATLLQWLDLP
KAERPSFYTIYVEAGVIKALQLVDDAFGMLMEGLKQRNLHNCVNIIVLAD
HGMDQTSCDRVEYMTDYFPEINFYMYQGPAPRIRTRNIPQDFFTFNSEEI
VRDLSCRKSDQHFKPYLTPDLPKRLHYAKNVRIDKVHLMVDRQWLAYRNK
GSMEAIFLAHGPSFKEKTVIEPFENIEVYNLLCDLLHIQPAPNNGSHGSL
NHLLKAPFYQPSHAEELSKSAGCGFTTPLPKDSLNCSCLAVNQRLNLNRG
EVSATEKTNLPFGRPRVIQKNKDHCLLYHREYVSGFGKAMKMPMWSSYTV
PKPGPPTVPDCLRADVRVDPSESQKCSFYLNIDHGFLYPPAIKGNNESQY
DALITSNLVPMYKEFKKMWDYFHKVLLIKYAIERNGVNVVSGPIFDYNYD
GHFDAPDEITNYVAGTDVPVPTHYFVVLTSCKNKTHTPDSCPGWLDVLPF
VVPHRPTNVESCPENKAEDLWVEERFKAHIARVRDVELLTGLDFYQEKTQ
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 chain6g4g Chain A Residue 901 [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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PDB6g4g Crystallization of ectonucleotide phosphodiesterase/pyrophosphatase-3 and orientation of the SMB domains in the full-length ectodomain.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D752 N754 D756 H758 F759 D760
Binding residue
(residue number reindexed from 1)		D646 N648 D650 H652 F653 D654
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:0004551 dinucleotide phosphatase activity
GO:0005509 calcium ion binding
GO:0005524 ATP 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:0051150 regulation of smooth muscle cell differentiation
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:0009986 cell surface
GO:0016324 apical plasma membrane
GO:0048471 perinuclear region of cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6g4g, PDBe:6g4g, PDBj:6g4g
PDBsum6g4g
PubMed30387774
UniProtP97675|ENPP3_RAT Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Gene Name=Enpp3)

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