Structure of PDB 5crg Chain D Binding Site BS12

Receptor Information
>5crg Chain D (length=354) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEGLDFPEYDGVDRVINVNAKNYKNVFKKYEVLALLYHEPPEDDKASQRQ
FEMEELILELAAQVLEDKGVGFGLVDSEKDAAVAKKLGLTEVDSMYVFKG
DEVIEYDGEFSADTIVEFLLDVLEDPVELIEGERELQAFENIEDEIKLIG
YFKSKDSEHYKAFEDAAEEFHPYIPFFATFDSKVAKKLTLKLNEIDFYEA
FMEEPVTIPGKPNSEEEIVNFVEEHRRSTLRKLKPESMYETWEDDMDGIH
IVAFAEEADPDGFEFLETLKAVAQDNTENPDLSIIWIDPDDFPLLVPYWE
KTFDIDLSAPQIGVVNVTDADSVWMEMDDEEDLPSAEELEDWLEDVLEGE
INTE
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 chain5crg Chain D Residue 411 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5crg Characterization of Two Human Skeletal Calsequestrin Mutants Implicated in Malignant Hyperthermia and Vacuolar Aggregate Myopathy.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		E169 E215
Binding residue
(residue number reindexed from 1)		E169 E215
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0007029 endoplasmic reticulum organization
GO:0007519 skeletal muscle tissue development
GO:0009408 response to heat
GO:0010880 regulation of release of sequestered calcium ion into cytosol by sarcoplasmic reticulum
GO:0014809 regulation of skeletal muscle contraction by regulation of release of sequestered calcium ion
GO:0014870 response to muscle inactivity
GO:0014894 response to denervation involved in regulation of muscle adaptation
GO:0045214 sarcomere organization
GO:0051258 protein polymerization
GO:0051281 positive regulation of release of sequestered calcium ion into cytosol
GO:0051282 regulation of sequestering of calcium ion
GO:1901341 positive regulation of store-operated calcium channel activity
GO:2001256 regulation of store-operated calcium entry
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005783 endoplasmic reticulum
GO:0005790 smooth endoplasmic reticulum
GO:0014802 terminal cisterna
GO:0014804 terminal cisterna lumen
GO:0016020 membrane
GO:0016529 sarcoplasmic reticulum
GO:0030016 myofibril
GO:0030018 Z disc
GO:0030315 T-tubule
GO:0031674 I band
GO:0033017 sarcoplasmic reticulum membrane
GO:0033018 sarcoplasmic reticulum lumen
GO:0042383 sarcolemma

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5crg, PDBe:5crg, PDBj:5crg
PDBsum5crg
PubMed26416891
UniProtP31415|CASQ1_HUMAN Calsequestrin-1 (Gene Name=CASQ1)

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