Structure of PDB 9j4k Chain B Binding Site BS02
Receptor Information
>9j4k Chain B (length=403) Species:
43663
(Paenarthrobacter aurescens) [
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PLNSPNVYDVTAWRIKGQPKVTAESDIGAVINDIIADIKKRQSTPETRPG
AVVIIPPGDYDLHTQVVVDVDYLTIAGFGHGFFSRSIKDNVDTTGWLNLQ
PGGSHIRVLTPPTSPQAFLVRRDGSPRLSGIVFKDFCLDGVSFVPDGNSY
KNGKTGIDVASDNDSIHITGMGFVYLEHALIVRGADALRVHDNMVAECGN
CVELTGAGQATIVSDNLMGAGPEGVTLLAENHEGLLVTGNNFFPRGRSLL
EFTGCNRCSVTSNRFQGFYPGMMRLLNGCKENLITSNHFRRGTEGFPPFI
DRTNGLDDLYGVIHAMGDNNLISNNLFAYDVPPGKIAPAGAQPTIMLIAG
GDGNVIATNHVISNVDTQHVVLDGSATRSKVLDSGAASTITSYSPDTAIR
PTP
Ligand information
Ligand ID
GLC
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-DVKNGEFBSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](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
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
alpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBL
CHEMBL423707
DrugBank
ZINC
ZINC000003861213
PDB chain
9j4k Chain J Residue 1 [
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Receptor-Ligand Complex Structure
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PDB
9j4k
Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase.
Resolution
2.201 Å
Binding residue
(original residue number in PDB)
G214 A215
Binding residue
(residue number reindexed from 1)
G206 A207
Annotation score
4
External links
PDB
RCSB:9j4k
,
PDBe:9j4k
,
PDBj:9j4k
PDBsum
9j4k
PubMed
39098696
UniProt
F8QV43
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