Structure of PDB 8sgt Chain A Binding Site BS04

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 1004 [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)		E385 D447 I449 E451 D498 D500
Binding residue
(residue number reindexed from 1)		E200 D262 I264 E266 D299 D301
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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