Structure of PDB 4kyt Chain A Binding Site BS04

Receptor Information
>4kyt Chain A (length=975) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEESLWEL
VIEQFEDLLVRILLLAACISFVLAWFETAFVEPFVILLILIANAIVGVWQ
ERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDK
VPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNML
FSGTNIAAGKALGIVATTGVSTEIGKIRDQMAADKTPLQQKLDEFGEQLS
KVISLICVAVWLINIGHFNDPIRGAIYYFKIAVALAVAAIPEGLPAVITT
CLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMF
IIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATIC
ALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVER
ANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGA
PEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLALATR
DTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDA
GIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQR
EACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIG
IAMGSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISS
NVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIM
DRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAEDGPGVTY
HQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLS
ENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQW
LMVLKISLPVIGLDEILKFIARNYL
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain4kyt Chain E Residue 1 [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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PDB4kyt The structural basis for phospholamban inhibition of the calcium pump in sarcoplasmic reticulum.
Resolution2.833 Å
Binding residue
(original residue number in PDB)		K511 R529 T532 T533 R534
Binding residue
(residue number reindexed from 1)		K494 R512 T515 T516 R517
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D351 D703 D707
Catalytic site (residue number reindexed from 1) D334 D686 D690
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:4kyt, PDBe:4kyt, PDBj:4kyt
PDBsum4kyt
PubMed23996003
UniProtP04191|AT2A1_RABIT Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Gene Name=ATP2A1)

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