Structure of PDB 4nf1 Chain A Binding Site BS01

Receptor Information
>4nf1 Chain A (length=146) Species: 183190 (Xylella fastidiosa Temecula1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VIRATTWKDLDLPRLQHLIQSSFRRTLIPHYFETTPLLRAYVSENYRAAV
ILTKLGNVPYLDKFAVLDDAQGEGLGRAVWSIMREETPQLFWRSRHNNQA
NAFYYAESDGYYKQDHWKIFWNGLHHFQQIQQCVAHCTQHPPTLID
Ligand information
Ligand IDNLG
InChIInChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyRFMMMVDNIPUKGG-YFKPBYRVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(NC(C(=O)O)CCC(=O)O)C
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CCC(=O)O)C(=O)O
CACTVS 3.341CC(=O)N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.341CC(=O)N[CH](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC(CCC(=O)O)C(=O)O
FormulaC7 H11 N O5
NameN-ACETYL-L-GLUTAMATE
ChEMBLCHEMBL1234751
DrugBankDB04075
ZINCZINC000001532704
PDB chain4nf1 Chain A Residue 501 [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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PDB4nf1 Structures of the N-acetyltransferase domain of Xylella fastidiosaN-acetyl-L-glutamate synthase/kinase with and without a His tag bound to N-acetyl-L-glutamate.
Resolution1.3986 Å
Binding residue
(original residue number in PDB)		F315 L353 D354 K355 F356 R385 R387
Binding residue
(residue number reindexed from 1)		F23 L61 D62 K63 F64 R93 R95
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.2.8: acetylglutamate kinase.
Gene Ontology
Molecular Function
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups

View graph for
Molecular Function
External links
PDB RCSB:4nf1, PDBe:4nf1, PDBj:4nf1
PDBsum4nf1
PubMed25615976
UniProtQ87EL2|ARGB_XYLFT Acetylglutamate kinase (Gene Name=argB)

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