Structure of PDB 2it6 Chain A Binding Site BS02
Receptor Information
>2it6 Chain A (length=132) Species:
9606
(Homo sapiens) [
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CHPCPWEWTFFQGNCYFMSNSQRNWHDSITACKEVGAQLVVIKSAEEQNF
LQLQSSRSNRFTWMGLSDLNQEGTWQWVDGSPLLPSFKQYWNRGEPNNVG
EEDCAEFSGNGWNDDKCNLAKFWICKKSAASC
Ligand information
Ligand ID
MAN
InChI
InChI=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
InChIKey
WQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341
OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
alpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBL
CHEMBL365590
DrugBank
ZINC
ZINC000003860903
PDB chain
2it6 Chain B Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
2it6
Multiple modes of binding enhance the affinity of DC-SIGN for high mannose N-linked glycans found on viral glycoproteins.
Resolution
1.95 Å
Binding residue
(original residue number in PDB)
F313 E358 S360 D367
Binding residue
(residue number reindexed from 1)
F61 E106 S108 D115
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:2it6
,
PDBe:2it6
,
PDBj:2it6
PDBsum
2it6
PubMed
17150970
UniProt
Q9NNX6
|CD209_HUMAN CD209 antigen (Gene Name=CD209)
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