Structure of PDB 6ohh Chain A Binding Site BS02

Receptor Information
>6ohh Chain A (length=126) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSRAAQLLPGTWQVTMTNEDGQTSQGQWHFQPRSPYTMDIVAQGTISDG
RPIVGYGKATVKTPDTLDIDITYPSLGNIKAQGQITMDSPTQFKWDAHYK
GDKDGDGYISAAEAAAQGLTGTLQRQ
Ligand information
Ligand ID38E
InChIInChI=1S/C12H10F2N2O2/c1-6-15-10(12(18)16(6)2)5-7-3-8(13)11(17)9(14)4-7/h3-5,17H,1-2H3/b10-5-
InChIKeyZDDIJYXDUBFLID-YHYXMXQVSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1C(\N=C(N1C)C)=C\c2cc(F)c(O)c(F)c2
CACTVS 3.385CN1C(=NC(=Cc2cc(F)c(O)c(F)c2)C1=O)C
OpenEye OEToolkits 1.9.2CC1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1C
OpenEye OEToolkits 1.9.2CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1C
CACTVS 3.385CN1C(=NC(=C/c2cc(F)c(O)c(F)c2)\C1=O)C
FormulaC12 H10 F2 N2 O2
Name(5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one
ChEMBL
DrugBank
ZINCZINC000098208407
PDB chain6ohh Chain A 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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PDB6ohh Incorporation of sensing modalities into de novo designed fluorescence-activating proteins
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V17 M19 N21 S27 Q28 G29 Q30 W31 I55 Y75 K105
Binding residue
(residue number reindexed from 1)		V15 M17 N19 S25 Q26 G27 Q28 W29 I53 Y73 K103
Annotation score1
External links