Structure of PDB 5uil Chain B Binding Site BS01

Receptor Information
>5uil Chain B (length=398) Species: 28901 (Salmonella enterica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIIIAGKNDIAVNVTRWLQKKKKNIEIYAICNANDTGIDTFQRSFKKYC
KDNLIPIISLAEAYKIDDAIFLSLEFDKIVQPSKFNHNELFNIHFSYLPK
YKGMYTSAWPILNGEDTSGVTLHKIDHGIDTGAIIAQKEIIIQPFETAKD
LYEKYISEGTSLVIDNISTLLNSEYVEKEQNIKYSSYYSKKTIDYSNLEL
NFSKTAFEIINQLRAFTFREYQLPKLDGVNIFLGDVLSSRSIMKPGSILE
RNDKEIIVSTIDYDVVLYKDNFKEILEACKYSDSKYIAKLIRAKSILFEK
NIYGWSPVIVAAYHGNIELIKWLVSKGANINDRNYKGTTVAMYFKDYMLK
SGDYSGLKMLIDLGLDLTLTDYKDYTVFDYLEKSGNKNLLQYMMAFMK
Ligand information
Ligand ID1YJ
InChIInChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12+/m1/s1
InChIKeyMSTNYGQPCMXVAQ-NEPJUHHUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N
CACTVS 3.385NC1=NC2=C(N[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2)C(=O)NC(=N3)N
CACTVS 3.385NC1=NC2=C(N[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1
ACDLabs 12.01O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC2=C(N=C(N)NC2=O)NC3)CCC(=O)O
FormulaC19 H23 N7 O6
NameN-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
ChEMBLCHEMBL2074655
DrugBank
ZINCZINC000004228235
PDB chain5uil Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5uil Molecular architecture of an N-formyltransferase from Salmonella enterica O60.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D77 K78 I79 V80 N92 M104 I125 D126 G128 D130 Y187 S189 K190
Binding residue
(residue number reindexed from 1)		D77 K78 I79 V80 N92 M104 I125 D126 G128 D130 Y187 S189 K190
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N92 H94 T121 D130
Catalytic site (residue number reindexed from 1) N92 H94 T121 D130
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:5uil, PDBe:5uil, PDBj:5uil
PDBsum5uil
PubMed28263875
UniProtU3GK13

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