Structure of PDB 5hca Chain A Binding Site BS02

Receptor Information
>5hca Chain A (length=266) Species: 294381 (Entamoeba histolytica HM-1:IMSS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAKVYFHETFENRDKWIDSTSSGKALGPFKIVSGKWYGDANNKGLQTSED
NKFYIAAAKLDEEFSNKDKNLIVQYNLKFEQGIDCGGGYIKLLPKKSIES
EEKFTPESEYNIMFGPDVCGGSKRTHVIMNYKGKNNLIRKEIKCESDDIS
HLYTLIIRPNNTYVVKIDGVEKQEGKFDEDWDMLAPKEIDDGSGIANPDY
VYDPELYKYDSFAYIGIDVWQVKAGTIYDDILITDDIEEAEKEAKVILER
NAAEKKMRDEIKEAEN
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain5hca Chain A Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hca Structures of parasite calreticulins provide insights into their flexibility and dual carbohydrate/peptide-binding properties.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		K103 Y122 M125
Binding residue
(residue number reindexed from 1)		K91 Y110 M113
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:5hca, PDBe:5hca, PDBj:5hca
PDBsum5hca
PubMed27840680
UniProtP83003|CALR_ENTH1 Calreticulin (Gene Name=CRT)

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