Structure of PDB 8b3b Chain C Binding Site BS01
Receptor Information
>8b3b Chain C (length=360) Species:
5691
(Trypanosoma brucei) [
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VNGAGLLQTVWGPVCELTSELDGQAGAALKKEQEMLAKINDMQMAQLRAA
IYLAKNPSTPHQNALAVLTAYYAERAGSGKAYFLHALPKAVDSIRRAAYL
KGHLDEYLNLLEKSSGGNNKCLVTTDDATVATRGGDQKLAGKNCKLSLSP
LKPVDAALTYITKAGVGKLRYDDGGAGGNAVTPSKSGVHACKLLIAHNTA
GYGDGGGVTADIDVFAGYMKVKATDAEPKLAAKSDLEEGGGGGAEAWKAL
HTAIKQEADAEAAELTNETGKLGERRHFLAAATNVLRAAVEAAFGSDSEG
GDRKIIELIEKELIVKGTANRDADESLGNIKTLKELGELLSYFQLKNSNT
INELRNKLKA
Ligand information
Ligand ID
BMA
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-RWOPYEJCSA-N
SMILES
Software
SMILES
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(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]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
beta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINC
ZINC000003830679
PDB chain
8b3b Chain C Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
8b3b
Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome.
Resolution
1.949 Å
Binding residue
(original residue number in PDB)
G367 N368 K370
Binding residue
(residue number reindexed from 1)
G328 N329 K331
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Biological Process
GO:0042783
evasion of host immune response
View graph for
Biological Process
External links
PDB
RCSB:8b3b
,
PDBe:8b3b
,
PDBj:8b3b
PDBsum
8b3b
PubMed
36780870
UniProt
M4SYA9
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