Structure of PDB 2ef6 Chain C Binding Site BS02
Receptor Information
>2ef6 Chain C (length=234) Species:
3824
(Canavalia gladiata) [
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ADTIVAVELDTYPNTDIGDPNYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSNSTNALHFMFNQFSKDQKDLILQGDATTGTDGN
LELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFDATFTFLIKSPD
SHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
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
2ef6 Chain G Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
2ef6
Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
Y12 N14 G98 L99 Y100 A207 D208 G227 R228
Binding residue
(residue number reindexed from 1)
Y12 N14 G98 L99 Y100 A204 D205 G224 R225
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0030246
carbohydrate binding
View graph for
Molecular Function
External links
PDB
RCSB:2ef6
,
PDBe:2ef6
,
PDBj:2ef6
PDBsum
2ef6
PubMed
17881248
UniProt
P14894
|CONA_CANGL Concanavalin-A
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