Structure of PDB 1mrf Chain L Binding Site BS02

Receptor Information
>1mrf Chain L (length=216) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVMTQTPLSLPVSLGDQASISCRSSQSLVHSNGNTYLHWYLQKPGQSPK
LLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQSTHVP
RTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDIN
VKWKIDGKERQNGVLNSWTDQNSKDSTYSMSSTLTLTKDEYERHNSYTCE
ATHKTSTSPIVKSFNR
Ligand information
Ligand IDDI
InChIInChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKeyPHNGFPPXDJJADG-RRKCRQDMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CNC2=O
CACTVS 3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
ACDLabs 10.04O=C1c2ncn(c2N=CN1)C3OC(C(O)C3)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O
FormulaC10 H13 N4 O7 P
Name2'-DEOXYINOSINE-5'-MONOPHOSPHATE
ChEMBL
DrugBank
ZINCZINC000013522804
PDB chain1mrf Chain L Residue 901 [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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PDB1mrf Preparation, characterization and crystallization of an antibody Fab fragment that recognizes RNA. Crystal structures of native Fab and three Fab-mononucleotide complexes.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N28 Y32 K50 S91
Binding residue
(residue number reindexed from 1)		N33 Y37 K55 S96
Annotation score4
External links