Structure of PDB 6stz Chain B Binding Site BS03
Receptor Information
>6stz Chain B (length=89) Species:
305
(Ralstonia solanacearum) [
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SVQTAATSWGTVPSIRVYTANNGKITERCWDGKGWYTGAFNEPGDNVSVT
SWLVGSAIHIRVYASTGTTTTEWCWDGKGWYKGAYTSTN
Ligand information
Ligand ID
BDF
InChI
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKey
LKDRXBCSQODPBY-ARQDHWQXSA-N
SMILES
Software
SMILES
CACTVS 3.341
OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
CACTVS 3.341
OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0
C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
ACDLabs 10.04
OC1C(O)(OCC(O)C1O)CO
OpenEye OEToolkits 1.5.0
C1C(C(C(C(O1)(CO)O)O)O)O
Formula
C6 H12 O6
Name
beta-D-fructopyranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBL
DrugBank
ZINC
ZINC000003861095
PDB chain
6stz Chain C Residue 102 [
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Receptor-Ligand Complex Structure
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PDB
6stz
Engineered assembly of a protein-cucurbituril biohybrid.
Resolution
1.14 Å
Binding residue
(original residue number in PDB)
W31 W36
Binding residue
(residue number reindexed from 1)
W30 W35
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:6stz
,
PDBe:6stz
,
PDBj:6stz
PDBsum
6stz
PubMed
31825399
UniProt
Q8XXK6
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