Structure of PDB 4b2h Chain A Binding Site BS01

Receptor Information
>4b2h Chain A (length=62) Species: 478009 (Halobacterium salinarum R1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VFKKVLLTGTSEESFTAAADDAIDRAEDTLDNVVWAEVVDQGVAIGAVRT
YQTEVQVAFELD
Ligand information
Ligand IDC3F
InChIInChI=1S/C16H17N5O4/c1-8-6-10-11(7-9(8)2)21(5-3-4-17-16(24)25)13-12(18-10)14(22)20-15(23)19-13/h6-7,17H,3-5H2,1-2H3,(H,24,25)(H,20,22,23)
InChIKeySDVCPFDZIJESAH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCCNC(O)=O)c2cc1C
ACDLabs 12.01O=C(O)NCCCN2C3=NC(=O)NC(=O)C3=Nc1cc(c(cc12)C)C
OpenEye OEToolkits 1.9.2Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCNC(=O)O
FormulaC16 H17 N5 O4
Name3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid
ChEMBL
DrugBank
ZINCZINC000095921115
PDB chain4b2h Chain A Residue 103 [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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PDB4b2h The Flavoprotein Dodecin as a Redox Probe for Electron Transfer Through DNA.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		V35 W36
Binding residue
(residue number reindexed from 1)		V34 W35
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4b2h, PDBe:4b2h, PDBj:4b2h
PDBsum4b2h
PubMed23532984
UniProtB0R5M0|DODEC_HALS3 Dodecin (Gene Name=OE_3073R)

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