Structure of PDB 5lk5 Chain E Binding Site BS01

Receptor Information
>5lk5 Chain E (length=249) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAVYFKEQFLDGDGWTSRWIESKHKSDFGKFVLSSGKFYGDEEKDKGLQT
SQKARFYALSASFEPFSNKGQTLVVQFTVKHEQNIDCGGGYVKLFPNSLD
QTDMHGDSEYNIMFGPDICGPGTKKVHVIFNYKGKNVLINKDIRCKDDEF
THLYTLIVRPDNTYEVKIDNSQVESGSLEDDWDFLPSIYAYDNFGVLGLD
LWQVKSGTIFDNFLITNDEAYAEEFGNETWGVTKAAEKQMKDKQDEEQR
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 chain5lk5 Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lk5 Structures of parasite calreticulins provide insights into their flexibility and dual carbohydrate/peptide-binding properties.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Q26 K62 D63 K64 D328
Binding residue
(residue number reindexed from 1)		Q8 K44 D45 K46 D211
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0051082 unfolded protein binding
Biological Process
GO:0006457 protein folding
Cellular Component
GO:0005783 endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5lk5, PDBe:5lk5, PDBj:5lk5
PDBsum5lk5
PubMed27840680
UniProtP27797|CALR_HUMAN Calreticulin (Gene Name=CALR)

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