Structure of PDB 7nyl Chain AAA Binding Site BS01

Receptor Information
>7nyl Chain AAA (length=58) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTARAIFRFVPRHEDELELEVDDPLLVELQAEDYWYEAYNMRTGARGVFP
AYYAIEVT
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 chain7nyl Chain C Residue 2 [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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PDB7nyl Visualizing protein breathing motions associated with aromatic ring flipping.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E504 E508
Binding residue
(residue number reindexed from 1)		E14 E18
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.36: phosphoinositide 5-phosphatase.
Gene Ontology
Biological Process
GO:0046328 regulation of JNK cascade

View graph for
Biological Process
External links
PDB RCSB:7nyl, PDBe:7nyl, PDBj:7nyl
PDBsum7nyl
PubMed35173330
UniProtQ9UQF2|JIP1_HUMAN C-Jun-amino-terminal kinase-interacting protein 1 (Gene Name=MAPK8IP1)

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