Structure of PDB 3wur Chain B Binding Site BS03

Receptor Information
>3wur Chain B (length=165) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTALTLPEDIRQQEPSALLYTLVSAYLEHTAQTGDESLSCLSDDQHTLTA
FCYLDSQVEEGGFVQLIASGYGEYIFRNPLADSLRRWKIKAVPKVLDKAK
ALYEQHGKTIETLADGGADIPSLRKQFPEFEEWDGAYYEAAEQDLPLLAE
HIQSNWETFAHIGQA
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 chain3wur Chain B 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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PDB3wur Crowning proteins: modulating the protein surface properties using crown ethers.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		D43 Y74 R77 P79
Binding residue
(residue number reindexed from 1)		D43 Y74 R77 P79
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links