Structure of PDB 8iwu Chain A Binding Site BS01

Receptor Information
>8iwu Chain A (length=893) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETMIPVLTSKKASELPVSEVASILQADLQNGLNKCEVSHRRAFHGWNEFD
ISEDEPLWKKYISQFKNPLIMLLLASAVISVLMHQFDDAVSITVAILIVV
TVAFVQEYRSEKSLEELSKLVPPECHCVREGKLEHTLARDLVPGDTVCLS
VGDRVPADLRLFEAVDLSIDESSLTGETTPCSKVTAPQPAATNGDLASRS
NIAFMGTLVRCGKAKGVVIGTGENSEFGEVFKMMQAEEAPKTPLQKSMDL
LGKQLSFYSFGIIGIIMLVGWLLGKDILEMFTISVSLAVAAIPEGLPIVV
TVTLALGVMRMVKKRAIVKKLPIVETLGCCNVICSDKTGTLTKNEMTVTH
IFTSDGLHAEVTGVGYNQFGEVIVDGDVVHGFYNPAVSRIVEAGCVCNDA
VIRNNTLMGKPTEGALIALAMKMGLDGLQQDYIRKAEYPFSSEQKWMAVK
CVHRTQQDRPEICFMKGAYEQVIKYCTTYQSKGQTLTLTQQQRDVYQQEK
ARMGSAGLRVLALASGPELGQLTFLGLVGIIDPPRTGVKEAVTTLIASGV
SIKMITGDSQETAVAIASRLGLYSKTSQSVSGEEIDAMDVQQLSQIVPKV
AVFYRASPRHKMKIIKSLQKNGSVVAMTGDGVNDAVALKAADIGVAMGQT
GTDVCKEAADMILVDDDFQTIMSAIEEGKGIYNNIKNFVRFQLSTSIAAL
TLISLATLMNFPNPLNAMQILWINIIMDGPPAQSLGVEPVDKDVIRKPPR
NWKDSILTKNLILKILVSSIIIVCGTLFVFWRELRDNVITPRDTTMTFTC
FVFFDMFNALSSRSQTKSVFEIGLCSNRMFCYAVLGSIMGQLLVIYFPPL
QKVFQTESLSILDLLFLLGLTSSVCIVAEIIKKVERSREKIQK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8iwu Chain A Residue 1001 [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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PDB8iwu Structure and transport mechanism of the human calcium pump SPCA1.
Resolution3.31 Å
Binding residue
(original residue number in PDB)		D350 G353 D644
Binding residue
(residue number reindexed from 1)		D336 G339 D630
Annotation score1
Enzymatic activity
Enzyme Commision number 7.2.2.10: P-type Ca(2+) transporter.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005215 transporter activity
GO:0005388 P-type calcium transporter activity
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
GO:0140613 P-type manganese transporter activity
Biological Process
GO:0006816 calcium ion transport
GO:0006828 manganese ion transport
GO:0006874 intracellular calcium ion homeostasis
GO:0008544 epidermis development
GO:0016339 calcium-dependent cell-cell adhesion via plasma membrane cell adhesion molecules
GO:0030036 actin cytoskeleton organization
GO:0032468 Golgi calcium ion homeostasis
GO:0032472 Golgi calcium ion transport
GO:0042998 positive regulation of Golgi to plasma membrane protein transport
GO:0043123 positive regulation of canonical NF-kappaB signal transduction
GO:0070588 calcium ion transmembrane transport
GO:0071421 manganese ion transmembrane transport
GO:0098629 trans-Golgi network membrane organization
Cellular Component
GO:0000139 Golgi membrane
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0005802 trans-Golgi network
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0032580 Golgi cisterna membrane
GO:0033106 cis-Golgi network membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8iwu, PDBe:8iwu, PDBj:8iwu
PDBsum8iwu
PubMed37258749
UniProtP98194|AT2C1_HUMAN Calcium-transporting ATPase type 2C member 1 (Gene Name=ATP2C1)

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