Structure of PDB 4nab Chain A Binding Site BS02

Receptor Information
>4nab Chain A (length=830) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILL
ILIANAIVGVWQERNAENAIEALKEYATEQDKTPLQQKLDEFGEQLSKVI
SLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPQGLPAV
ITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVC
KMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELA
TICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSK
VERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFV
KGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLAL
ATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLC
RDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLA
EQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKA
EIGIAMGSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYL
ISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDL
DIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAEDGPG
VTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALN
SLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDL
TQWLMVLKISLPVIGLDEILKFIARNYLEG
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 chain4nab Chain A Residue 1102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nab SERCA mutant E309Q binds two Ca(2+) ions but adopts a catalytically incompetent conformation.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		N768 E771 T799 D800 E908
Binding residue
(residue number reindexed from 1)		N604 E607 T635 D636 E744
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D351 D703 D707
Catalytic site (residue number reindexed from 1) D187 D539 D543
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:4nab, PDBe:4nab, PDBj:4nab
PDBsum4nab
PubMed24270570
UniProtP04191|AT2A1_RABIT Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Gene Name=ATP2A1)

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