Structure of PDB 6jju Chain A Binding Site BS02

Receptor Information
>6jju Chain A (length=974) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MENAHTKTVEEVLGHFGVNESTGLSLEQVKKLKERWGSNELPAEEGKTLL
ELVIEQFEDLLVRILLLAACISFVLAWFEETAFVEPFVILLILVANAIVG
VWQERNAENAIEALKEYEPEMGKVYRQDRKSVQRIKAKDIVPGDIVEIAV
GDKVPADIRLTSIKSTTLRVDQSILTGESVSVIKHTDPVPDPRAVNQDKK
NMLFSGTNIAAGKAMGVVVATGVNTEIGKIRDEMRTPLQQKLDEFGEQLS
KVISLICIAVWIINIGHDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPA
VITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSV
CRMFILDRVEGDTCSLNEFTITGSTYAPIGEVHKDDKPVNCHQYDGLVEL
ATICALCNDSALDYNEAKGVYEKVGEATETALTCLVEKMNVFDTELKGLS
KIERANACNSVIKQLMKKEFTLEFSRDRKSMSVYCTPNKPSRTSMSKMFV
KGAPEGVIDRCTHIRVGSTKVPMTSGVKQKIMSVIREWGSGSDTLRCLAL
ATHDNPLRREEMHLEDSANFIKYETNLTFVGCVGMLDPPRIEVASSVKLC
RQAGIRVIMITGDNKGTAVAICRRIGIFGQDEDVTSKAFTGREFDELNPS
AQRDACLNARCFARVEPSHKSKIVEFLQSFDEITAMTGDGVNDAPALKKA
EIGIAMGSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYL
ISSNVGEVVCIFLTAALGFPEALIPVQLLWVNLVTDGLPATALGFNPPDL
DIMNKPPRNPKEPLISGWLFFRYLAIGCYVGAATVGAAAWWFIAADGGPR
VSFYQLSHFLQCNPDFEGVDCAIFESPYPMTMALSVLVTIEMCNALNSLS
ENQSLLRMPPWENIWLVGSICLSMSLHFLILYVEPLPLIFQITPLNVTQW
LMVLKISLPVILMDETLKFVARNY
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 chain6jju Chain A Residue 1002 [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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PDB6jju Structural Basis of Sarco/Endoplasmic Reticulum Ca2+-ATPase 2b Regulation via Transmembrane Helix Interplay.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		D351 T353 D702
Binding residue
(residue number reindexed from 1)		D338 T340 D689
Annotation score1
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:0005509 calcium ion binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0019899 enzyme binding
GO:0044325 transmembrane transporter binding
GO:0044548 S100 protein binding
GO:0046872 metal ion binding
GO:0086039 P-type calcium transporter activity involved in regulation of cardiac muscle cell membrane potential
GO:0106222 lncRNA binding
Biological Process
GO:0000045 autophagosome assembly
GO:0002026 regulation of the force of heart contraction
GO:0006816 calcium ion transport
GO:0006874 intracellular calcium ion homeostasis
GO:0006984 ER-nucleus signaling pathway
GO:0007155 cell adhesion
GO:0008544 epidermis development
GO:0010460 positive regulation of heart rate
GO:0010666 positive regulation of cardiac muscle cell apoptotic process
GO:0010882 regulation of cardiac muscle contraction by calcium ion signaling
GO:0014883 transition between fast and slow fiber
GO:0014898 cardiac muscle hypertrophy in response to stress
GO:0016240 autophagosome membrane docking
GO:0032469 endoplasmic reticulum calcium ion homeostasis
GO:0032470 positive regulation of endoplasmic reticulum calcium ion concentration
GO:0033292 T-tubule organization
GO:0034220 monoatomic ion transmembrane transport
GO:0034599 cellular response to oxidative stress
GO:0034976 response to endoplasmic reticulum stress
GO:0045822 negative regulation of heart contraction
GO:0070050 neuron cellular homeostasis
GO:0070296 sarcoplasmic reticulum calcium ion transport
GO:0070588 calcium ion transmembrane transport
GO:0086036 regulation of cardiac muscle cell membrane potential
GO:0098909 regulation of cardiac muscle cell action potential involved in regulation of contraction
GO:0140056 organelle localization by membrane tethering
GO:1900121 negative regulation of receptor binding
GO:1903233 regulation of calcium ion-dependent exocytosis of neurotransmitter
GO:1903515 calcium ion transport from cytosol to endoplasmic reticulum
GO:1903779 regulation of cardiac conduction
GO:1990036 calcium ion import into sarcoplasmic reticulum
GO:1990456 mitochondrion-endoplasmic reticulum membrane tethering
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016529 sarcoplasmic reticulum
GO:0031095 platelet dense tubular network membrane
GO:0033017 sarcoplasmic reticulum membrane
GO:0097470 ribbon synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6jju, PDBe:6jju, PDBj:6jju
PDBsum6jju
PubMed31018135
UniProtP16615|AT2A2_HUMAN Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (Gene Name=ATP2A2)

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