Structure of PDB 6ipz Chain Z Binding Site BS02

Receptor Information
>6ipz Chain Z (length=63) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STGVTLFVALYDYEAWTEDDLSFHKGEKFQILNSSEGDWWEARSLTTGET
GYIPSNYVAPVDS
Ligand information
Ligand IDO4B
InChIInChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChIKeyXEZNGIUYQVAUSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		C1COCCOCCOCCOCCOCCO1
ACDLabs 12.01O1CCOCCOCCOCCOCCOCC1
FormulaC12 H24 O6
Name1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
ChEMBLCHEMBL155204
DrugBank
ZINCZINC000003861356
PDB chain6ipz Chain Z Residue 202 [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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PDB6ipz Synergy and allostery in ligand binding by HIV-1 Nef.
Resolution1.576 Å
Binding residue
(original residue number in PDB)		T97 E116 W119 Y132
Binding residue
(residue number reindexed from 1)		T17 E36 W39 Y52
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
External links
PDB RCSB:6ipz, PDBe:6ipz, PDBj:6ipz
PDBsum6ipz
PubMed33787846
UniProtP06241|FYN_HUMAN Tyrosine-protein kinase Fyn (Gene Name=FYN)

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