Structure of PDB 5uin Chain A Binding Site BS01

Receptor Information
>5uin Chain A (length=399) Species: 28901 (Salmonella enterica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKIIIAGKNDIAVNVTRWLQKKKKNIEIYAICNANDTGIDTFQRSFKKY
CKDNLIPIISLAEAYKIDDAIFLSLEFDKIVQPSKFNHNELFNIHFSYLP
KYKGMYTSAWPILNGEDTSGVTLHKIDHGIDTGAIIAQKEIIIQPFETAK
DLYEKYISEGTSLVIDNISTLLNSEYVEKEQNIKYSSYYSKKTIDYSNLE
LNFSKTAFEIINQLRAFTFREYQLPKLDGVNIFLGDVLSSRSIMKPGSIL
ERNDKEIIVSTIDYDVVLYKDNFKEILEACKYSDSKYIAKLIRAKSILFE
KNIYGASPVIVAAYHGNIELIKWLVSKGANINDRNYKGTTVAMYFKDYML
KSGDYSGLKMLIDLGLDLTLTDYKDYTVFDYLEKSGNKNLLQYMMAFMK
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 chain5uin Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5uin Molecular architecture of an N-formyltransferase from Salmonella enterica O60.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		K8 E75 Y105 S107 Y152 Y195 F218 Y221 Q222
Binding residue
(residue number reindexed from 1)		K9 E76 Y106 S108 Y153 Y196 F219 Y222 Q223
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N92 H94 T121 D130
Catalytic site (residue number reindexed from 1) N93 H95 T122 D131
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
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:5uin, PDBe:5uin, PDBj:5uin
PDBsum5uin
PubMed28263875
UniProtU3GK13

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