Structure of PDB 7l65 Chain A Binding Site BS02
Receptor Information
>7l65 Chain A (length=122) Species:
9606
(Homo sapiens) [
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LCFKLYAKGKHEKKTWFESRDFCRALGGDLASINNKEEQQTIWRLITASG
SYHKLFWLGLTYGSPSEGFTWSDGSPVSYENWAYGEPNNYQNVEYCGELK
GDPTMSWNDINCEHLNNWICQI
Ligand information
Ligand ID
2F8
InChI
InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1
InChIKey
ZEVOCXOZYFLVKN-OKNNCHMLSA-N
SMILES
Software
SMILES
CACTVS 3.385
CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
CACTVS 3.385
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
ACDLabs 12.01
O=C(NC1C(O)C(O)C(OC1OC)CO)C
OpenEye OEToolkits 1.7.6
CC(=O)NC1C(C(C(OC1OC)CO)O)O
OpenEye OEToolkits 1.7.6
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O
Formula
C9 H17 N O6
Name
methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside;
methyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside;
methyl 2-acetamido-2-deoxy-alpha-D-glucoside;
methyl 2-acetamido-2-deoxy-D-glucoside;
methyl 2-acetamido-2-deoxy-glucoside
ChEMBL
DrugBank
ZINC
ZINC000005167367
PDB chain
7l65 Chain A Residue 802 [
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Receptor-Ligand Complex Structure
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PDB
7l65
Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
Resolution
1.35 Å
Binding residue
(original residue number in PDB)
E725 N727 E733 N747
Binding residue
(residue number reindexed from 1)
E86 N88 E94 N108
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:7l65
,
PDBe:7l65
,
PDBj:7l65
PDBsum
7l65
PubMed
33545173
UniProt
P22897
|MRC1_HUMAN Macrophage mannose receptor 1 (Gene Name=MRC1)
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