Structure of PDB 4nv1 Chain D Binding Site BS01

Receptor Information
>4nv1 Chain D (length=240) Species: 177416 (Francisella tularensis subsp. tularensis SCHU S4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKIFVVTDNRTILSDFKNIIGSKNDVQVDYFCSFKSQTSFAKEIYNSEI
KPIDMKKNGNDLIGKYDLGFSCHSKQLFPAKLVNSVLCINIHPGLNPYNR
GWFPQVFSIINKLPIGATIHVMDEEIDHGDIIIQEEVEVNSFENSFDVYA
KVQKKEVELFTKVIDDILNNKFTRIKPNSEGNYNSIHDYKNMCEIDLDKI
VTMREAIDYLRAMTHPPYKNSYFIDEHGNKVFVALELEKI
Ligand information
Ligand IDTYD
InChIInChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyUJLXYODCHAELLY-XLPZGREQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
FormulaC10 H16 N2 O11 P2
NameTHYMIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL259724
DrugBankDB03103
ZINCZINC000008215882
PDB chain4nv1 Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nv1 Three-dimensional structure of a sugar N-formyltransferase from Francisella tularensis.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N10 H73 F103 Q105 Y149 H215 Y218 N220
Binding residue
(residue number reindexed from 1)		N10 H73 F103 Q105 Y149 H215 Y218 N220
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004479 methionyl-tRNA formyltransferase activity
GO:0016740 transferase activity
Biological Process
GO:0006413 translational initiation
GO:0009058 biosynthetic process
GO:0071951 conversion of methionyl-tRNA to N-formyl-methionyl-tRNA
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4nv1, PDBe:4nv1, PDBj:4nv1
PDBsum4nv1
PubMed24347283
UniProtQ5NF01

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