Structure of PDB 4h1w Chain A Binding Site BS01

Receptor Information
>4h1w Chain A (length=985) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLW
ELVIEQFEDLLVRILLLAACISFVLAWFETAFVEPFVILLILIANAIVGV
WQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVG
DKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKN
MLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEF
GEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAA
IPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTL
TTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQ
FDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFN
TEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRA
AVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGR
DTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKE
VMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGR
EFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVN
DAPALKKAEIGIAMGSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNN
MKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATA
LGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWF
MYAEDGPGVTYHQLTHFMQCTEDHPHFDCEIFEAPEPMTMALSVLVTIEM
CNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKL
KALDLTQWLMVLKISLPVIGLDEILKFIARNYLEG
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 chain4h1w Chain A Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4h1w The sarcolipin-bound calcium pump stabilizes calcium sites exposed to the cytoplasm.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		V304 A305 E309
Binding residue
(residue number reindexed from 1)		V298 A299 E303
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D351 D703 D707
Catalytic site (residue number reindexed from 1) D345 D697 D701
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4h1w, PDBe:4h1w, PDBj:4h1w
PDBsum4h1w
PubMed23455424
UniProtP04191|AT2A1_RABIT Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Gene Name=ATP2A1)

[Back to BioLiP]