Structure of PDB 8sgt Chain A Binding Site BS05

Receptor Information
>8sgt Chain A (length=687) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYYCKKGVILPIWEPQDPSFGDKIARATVYFVAMVYMFLGVSIIADRFMS
SIEVITSETVSNLTLMALGSSAPEILLSVIEVCGHNFTAGDLGPSTIVGS
AAFNMFIIIALCVYVVPDGETRKIKHLRVFFVTAAWSIFAYTWLYIILSV
ISPGVVEVWEGLLTFFFFPICVVFAWVADRRLLFPVSKIFFEQGTYQCLE
NCGTVALTIIRRGGDLTNTVFVDFRTEDGTANAGSDYEFTEGTVVFKPGD
TQKEIRVGIIDDDIFEEDENFLVHLSNVKVSSTLACLGSPSTATVTIFDD
DHAGIFTFEEPVTHVSESIGIMEVKVLRTSGARGNVIVPYKTIEGTARGG
GEDFEDTCGELEFQNDEIVKTISVKVIDDEEYEKNKTFFLEIGEPRLVEM
SEKKALLLNELGGFTITGKYLFGQPVFRKVHAREHPILSTVITIALTSKE
EEERRIAEMGRPILGEHTKLEVIIEENSWREQFIEAITSCFDYVMHFLTV
FWKVLFAFVPPTEYWNGWACFIVSILMIGLLTAFIGDLASHFGCTIGLKD
SVTAVVFVALGTSVPDTFASKVAATQDQYADASIGNVTGSNAVNVFLGIG
VAWSIAAIYHAANGEQFKVSPGTLAFSVTLFTIFAFINVGVLLYRRRPEI
GGELGGPRTAKLLTSCLFVLLWLLYIFFSSLEAYCHI
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 chain8sgt Chain A Residue 1005 [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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PDB8sgt Structural mechanisms of human cardiac sodium calcium exchanger NCX1
Resolution3.6 Å
Binding residue
(original residue number in PDB)		E516 D578 E580 E683
Binding residue
(residue number reindexed from 1)		E317 D379 E381 E476
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005432 calcium:sodium antiporter activity
Biological Process
GO:0006816 calcium ion transport
GO:0007154 cell communication
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8sgt, PDBe:8sgt, PDBj:8sgt
PDBsum8sgt
PubMed37794011
UniProtP32418|NAC1_HUMAN Sodium/calcium exchanger 1 (Gene Name=SLC8A1)

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