Structure of PDB 3w5b Chain A Binding Site BS01

Receptor Information
>3w5b Chain A (length=997) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIAMEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGK
SLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLI
LIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVP
GDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDP
RAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKT
PLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFK
IAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSV
ICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLK
NDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTT
LVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVY
CSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILS
VIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVV
GMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEE
VADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEI
TAMTGDGVNDAPALKKAEIGIAMGSGTAVAKTASEMVLADDNFSTIVAAV
EEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNL
VTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAA
TVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPM
TMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLI
LYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKFIARNYLEG
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 chain3w5b Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3w5b Crystal structures of the calcium pump and sarcolipin in the Mg2+-bound E1 state.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		A305 A306 N768 E771 N796
Binding residue
(residue number reindexed from 1)		A308 A309 N771 E774 N799
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D351 D703 D707
Catalytic site (residue number reindexed from 1) D354 D706 D710
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:0005509 calcium ion binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0006816 calcium ion transport
GO:0006874 intracellular calcium ion homeostasis
GO:0031448 positive regulation of fast-twitch skeletal muscle fiber contraction
GO:0070588 calcium ion transmembrane transport
GO:0106134 positive regulation of cardiac muscle cell contraction
GO:1901896 positive regulation of ATPase-coupled calcium transmembrane transporter activity
GO:1902082 positive regulation of calcium ion import into sarcoplasmic reticulum
GO:1990036 calcium ion import into sarcoplasmic reticulum
Cellular Component
GO:0016020 membrane
GO:0016529 sarcoplasmic reticulum
GO:0033017 sarcoplasmic reticulum membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3w5b, PDBe:3w5b, PDBj:3w5b
PDBsum3w5b
PubMed23455422
UniProtP04191|AT2A1_RABIT Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Gene Name=ATP2A1)

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