Structure of PDB 8iwp Chain A Binding Site BS01

Receptor Information
>8iwp Chain A (length=896) 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
QKVFQTESLSILDLLFLLGLTSSVCIVAEIIKKVERSREKIQKHVS
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 chain8iwp 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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PDB8iwp Structure and transport mechanism of the human calcium pump SPCA1.
Resolution3.59 Å
Binding residue
(original residue number in PDB)		V303 A304 E308 N738 D742
Binding residue
(residue number reindexed from 1)		V289 A290 E294 N724 D728
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:8iwp, PDBe:8iwp, PDBj:8iwp
PDBsum8iwp
PubMed37258749
UniProtP98194|AT2C1_HUMAN Calcium-transporting ATPase type 2C member 1 (Gene Name=ATP2C1)

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