Structure of PDB 6q4z Chain A Binding Site BS02
Receptor Information
>6q4z Chain A (length=310) Species:
929439
(Leishmania mexicana MHOM/GT/2001/U1103) [
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TKPCSLIPAKEAFEREKKIYGKAILSFDGVNGYDVYNCSIPFTYDGKTYI
FGRVEKKDEWVHSNSILFEKVGENRYRRHPASITYNLENPFVVKIHGEMV
FGGTHVTKNGGKVSDYRCEFYHGTPFNLKYFSSGPSKMKDIRLVELADGK
IGIFTHFLTGFTTIDKVEDLTVEVINSAKLINHRPFGDAWGGPSQVYLLS
SGLLGCISHHGYLLDQKDGIQLRIYACTSFVFDPATYEVYNFKIIGTKGC
FPPCEPKLPHLADCAFVSGIEMRNDGKCNLYSGIGDVAEGYIVIDYPFEG
YGKIVSDVAF
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
6q4z Chain C Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
6q4z
A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Resolution
1.55 Å
Binding residue
(original residue number in PDB)
N42 N94 K144 Y236 F277 D297
Binding residue
(residue number reindexed from 1)
N37 N89 K139 Y225 F266 D286
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:6q4z
,
PDBe:6q4z
,
PDBj:6q4z
PDBsum
6q4z
PubMed
31513773
UniProt
E9AND8
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