Structure of PDB 6ael Chain A Binding Site BS04

Receptor Information
>6ael Chain A (length=725) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISK
LKNCGTYTKNMRPMYPTKAFPNHYSIVTGLYPESHGIIDNKMYDPKMNAS
FSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIY
KVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSS
EVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYL
NKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHF
RPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGS
DNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGS
HGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDF
EDDIYHMTVPYGRPRILLKQHRVCLLQQQQFLTGYSLDLLMPLWASYTFL
SNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRV
SNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPV
FDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLEC
SALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGL
SFYQDRQESVSELLRLKTHLPIFSQ
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 chain6ael Chain A Residue 1010 [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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PDB6ael Structural insights into cGAMP degradation by Ecto-nucleotide pyrophosphatase phosphodiesterase 1.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D780 D782 D784 R786 Y787 D788
Binding residue
(residue number reindexed from 1)		D602 D604 D606 R608 Y609 D610
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:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6ael, PDBe:6ael, PDBj:6ael
PDBsum6ael
PubMed30356045
UniProtP06802|ENPP1_MOUSE Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Gene Name=Enpp1)

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