Structure of PDB 4rk6 Chain A Binding Site BS01

Receptor Information
>4rk6 Chain A (length=270) Species: 585506 (Weissella paramesenteroides ATCC 33313) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVVGVVVPLIHTNFADEIIKGLYETTISSGYELLITYLDEDEDHQYQVFQ
TLLSRQVGAVFMLSLDIPSWMIDKLLEEQISVISLTALLSEQISAVTSNE
FEMMNSIVDYLIDMGHKNIALVGDTKLTTNISSTRRTNFIKSMTDHNLAY
ENIFLYGNDHSYETGYTSVTTGYDINQLPFTAAIATADMVGQGLINAMSD
HGKTVPEDLSIVTIDGLQQTEIARPKLTTVKQDFPEIGRIAMQLFLDSDE
PQIIYIPTELIQRDSVLNLN
Ligand information
Ligand IDGLC
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain4rk6 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4rk6 Crystal structure of transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926
Resolution1.76 Å
Binding residue
(original residue number in PDB)
T72 F74 T146 R195 H220 D275 Q292
Binding residue
(residue number reindexed from 1)
T12 F14 T86 R135 H160 D215 Q232
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links