Structure of PDB 4zrv Chain C Binding Site BS03

Receptor Information
>4zrv Chain C (length=131) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ACPLKWFHFQSSCYLFSPDTMSWRASLKNCSSMGAHLVVINTQEEQEFLY
YTKPRKKEFYIGLTDQVTEGQWQWVDGTPFTKSLSFWDAGEPNNLVTVED
CATIRDSSNPRQNWNDVPCFFNMFRVCEMPE
Ligand information
Ligand IDU8V
InChIInChI=1S/C10H18O7/c1-2-3-6(11)16-4-5-7(12)8(13)9(14)10(15)17-5/h5,7-10,12-15H,2-4H2,1H3/t5-,7-,8+,9-,10+/m1/s1
InChIKeyZRXPGZBHTLDSIT-HOQQJHGQSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7CCCC(=O)OCC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 2.0.7CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
ACDLabs 12.01OC1C(C(O)C(O)C(COC(=O)CCC)O1)O
CACTVS 3.385CCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
FormulaC10 H18 O7
Name6-O-butanoyl-alpha-D-glucopyranose
ChEMBL
DrugBank
ZINC
PDB chain4zrv Chain F Residue 2 [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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PDB4zrv Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
Resolution2.095 Å
Binding residue
(original residue number in PDB)		E168 N170 E176 R182 N192 F198
Binding residue
(residue number reindexed from 1)		E91 N93 E99 R105 N115 F121
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links