Structure of PDB 8iwr Chain A Binding Site BS01

Receptor Information
>8iwr 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]
MIPVLTSKKASELPVSEVASILQADLQNGLNKCEVSHRRAFHGWNEFDIS
EDEPLWKKYISQFKNPLIMLLLASAVISVLMHQFDDAVSITVAILIVVTV
AFVQEYRSEKSLEELSKLVPPECHCVREGKLEHTLARDLVPGDTVCLSVG
DRVPADLRLFEAVDLSIDESSLTGETTPCSKVTAPQPAATNGDLASRSNI
AFMGTLVRCGKAKGVVIGTGENSEFGEVFKMMQAEEAPKTPLQKSMDLLG
KQLSFYSFGIIGIIMLVGWLLGKDILEMFTISVSLAVAAIPEGLPIVVTV
TLALGVMRMVKKRAIVKKLPIVETLGCCNVICSDKTGTLTKNEMTVTHIF
TSDGLHAEVTGVGYNQFGEVIVDGDVVHGFYNPAVSRIVEAGCVCNDAVI
RNNTLMGKPTEGALIALAMKMGLDGLQQDYIRKAEYPFSSEQKWMAVKCV
HRTQQDRPEICFMKGAYEQVIKYCTTYQSKGQTLTLTQQQRDVYQQEKAR
MGSAGLRVLALASGPELGQLTFLGLVGIIDPPRTGVKEAVTTLIASGVSI
KMITGDSQETAVAIASRLGLYSKTSQSVSGEEIDAMDVQQLSQIVPKVAV
FYRASPRHKMKIIKSLQKNGSVVAMTGDGVNDAVALKAADIGVAMGQTGT
DVCKEAADMILVDDDFQTIMSAIEEGKGIYNNIKNFVRFQLSTSIAALTL
ISLATLMNFPNPLNAMQILWINIIMDGPPAQSLGVEPVDKDVIRKPPRNW
KDSILTKNLILKILVSSIIIVCGTLFVFWRELRDNVITPRDTTMTFTCFV
FFDMFNALSSRSQTKSVFEIGLCSNRMFCYAVLGSIMGQLLVIYFPPLQK
VFQTESLSILDLLFLLGLTSSVCIVAEIIKKVERSREKIQKHV
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 chain8iwr 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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PDB8iwr Structure and transport mechanism of the human calcium pump SPCA1.
Resolution3.52 Å
Binding residue
(original residue number in PDB)		V303 A304 I306 E308 N738 D742
Binding residue
(residue number reindexed from 1)		V287 A288 I290 E292 N722 D726
Annotation score5
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:8iwr, PDBe:8iwr, PDBj:8iwr
PDBsum8iwr
PubMed37258749
UniProtP98194|AT2C1_HUMAN Calcium-transporting ATPase type 2C member 1 (Gene Name=ATP2C1)

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