Structure of PDB 8ghr Chain A Binding Site BS04

Receptor Information
>8ghr Chain A (length=735) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKSWVEEPCESINEPQCPAGFETPPTLLFSLDGFRAEYLHTWGGLLPVIS
KLKKCGTYTKNMRPVYPTKAFPNHYSIVTGLYPESHGIIDNKMYDPKMNA
SFSLKSKEKFNPEWYKGEPIWVTAKYQGLKSGTFFWPGSDVEINGIFPDI
YKMYNGSVPFEERILAVLQWLQLPKDERPHFYTLYLEEPDSSGHSYGPVS
SEVIKALQRVDGMVGMLMDGLKELNLHRCLNLILISDHGMEQGSCKKYIY
LNKYLGDVKNIKVIYGPAARLRPSDVPDKYYSFNYEGIARNLSCREPNQH
FKPYLKHFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHG
SDNVFSNMQALFVGYGPGFKHGIEADTFENIEVYNLMCDLLNLTPAPNNG
THGSLNHLLKNPVYTPKHPKEVHPLVQCPFTRNPRDNLGCSCNPSILPIE
DFQTQFNLTVAEEKIIKHETLPYGRPRVLQKENTICLLSQHQFMSGYSQD
ILMPLWTSYTVDRNDSFSTEDFSNCLYQDFRIPLSPVHKCSFYKNNTKVS
YGFLSPPQLNKNSSGIYSEALLTTNIVPMYQSFQVIWRYFHDTLLRKYAE
ERNGVNVVSGPVFDFDYDGRCDSLENLRQKRRVIRNQEILIPTHFFIVLT
SCKDTSQTPLHCENLDTLAFILPHRTDNSESCVHGKHDSSWVEELLMLHR
ARITDVEHITGLSFYQQRKEPVSDILKLKTHLPTF
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 chain8ghr Chain A Residue 1306 [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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PDB8ghr Discovery of VH domains that allosterically inhibit ENPP1.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		D800 D804 R806 D808
Binding residue
(residue number reindexed from 1)		D614 D618 R620 D622
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:8ghr, PDBe:8ghr, PDBj:8ghr
PDBsum8ghr
PubMed37400538
UniProtP0DOX5|IGG1_HUMAN Immunoglobulin gamma-1 heavy chain;
P22413|ENPP1_HUMAN Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Gene Name=ENPP1)

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