Structure of PDB 4zrv Chain B Binding Site BS01

Receptor Information
>4zrv Chain B (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 E 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 N192
Binding residue
(residue number reindexed from 1)		E91 N93 E99 N115
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links