Structure of PDB 1vhn Chain A Binding Site BS01

Receptor Information
>1vhn Chain A (length=305) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKVGLAPMAGYTDSAFRTLAFEWGADFAFSEMVSAKGFLMNSQKTEELLP
QPHERNVAVQIFGSEPNELSEAARILSEKYKWIDLNAGCPVRKVVKEGAG
GALLKDLRHFRYIVRELRKSVSGKFSVKTRLGWEKNEVEEIYRILVEEGV
DEVFIHTRTVVQSFTGRAEWKALSVLEKRIPTFVSGDIFTPEDAKRALEE
SGCDGLLVARGAIGRPWIFKQIKDFLRSGKYSEPSREEILRTFERHLELL
IKTKGERKAVVEMRKFLAGYTKDLKGARRFREKVMKIEEVQILKEMFYNF
IKEVE
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain1vhn Chain A Residue 322 [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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PDB1vhn The 1.59 A resolution crystal structure of TM0096, a flavin mononucleotide binding protein from Thermotoga maritima.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		P11 M12 A13 Y15 M36 Q64 N90 K132 H160 F168 S189 G190 D191 A213 R214
Binding residue
(residue number reindexed from 1)		P7 M8 A9 Y11 M32 Q60 N86 K128 H156 F164 S185 G186 D187 A209 R210
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003723 RNA binding
GO:0016491 oxidoreductase activity
GO:0017150 tRNA dihydrouridine synthase activity
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0002943 tRNA dihydrouridine synthesis
GO:0008033 tRNA processing

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1vhn, PDBe:1vhn, PDBj:1vhn
PDBsum1vhn
PubMed15103641
UniProtQ9WXV1

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