Structure of PDB 1q8s Chain A Binding Site BS01
Receptor Information
>1q8s Chain A (length=241) Species:
182271
(Pterocarpus angolensis) [
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QDSLSFGFPTFPSDQKNLIFQGDAQIKNNAVQLTKTDSNGNPVASTVGRI
LFSAQVHLWEKSSSRVANFQSQFSFSLKSPLSNGADGIAFFIAPPDTTIP
SGSGGGLLGLFAPGTAQNTSANQVIAVEFDTFYAQDSNTWDPNYPHIGID
VNSIRSVKTVKWDRRDGQSLNVLVTFNPSTRNLDVVATYSDGTRYEVSYE
VDVRSVLPEWVRVGFSAASGEQYQTHTLESWSFTSTLLYTA
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
1q8s Chain C Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
1q8s
Structural Basis of Oligomannose Recognition by the Pterocarpus angolensis Seed Lectin
Resolution
2.05 Å
Binding residue
(original residue number in PDB)
A85 D86 G105 G106 F132 G220 E221 Q222
Binding residue
(residue number reindexed from 1)
A85 D86 G105 G106 F132 G220 E221 Q222
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0030246
carbohydrate binding
GO:0046872
metal ion binding
View graph for
Molecular Function
External links
PDB
RCSB:1q8s
,
PDBe:1q8s
,
PDBj:1q8s
PDBsum
1q8s
PubMed
14729339
UniProt
Q8GSD2
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