Structure of PDB 3l86 Chain A Binding Site BS02

Receptor Information
>3l86 Chain A (length=245) Species: 210007 (Streptococcus mutans UA159) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKDIIVIKIGGVASQQLSGDFLSQIKNWQDAGKQLVIVHGGGFAINKLME
ENQVPVKKINGLRVTSKDDMVLVSHALLDLVGKNLQEKLRQAGVSCQQLK
SDIKHVVAADYLDKDTYGYVGDVTHINKRVIEEFLENRQIPILASLGYSK
EGDMLNINADYLATAVAVALAADKLILMTNVKGVLENGAVLEKITSHQVQ
EKIDTAVITAGMIPKIESAAKTVAAGVGQVLIGDNLLTGTLITAD
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 chain3l86 Chain A Residue 247 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3l86 The Crystal Structure of smu.665 from Streptococcus mutans UA159
Resolution2.06 Å
Binding residue
(original residue number in PDB)		G40 G41 G42 I45 R63 S145 N156 I157 N158 A159
Binding residue
(residue number reindexed from 1)		G40 G41 G42 I45 R63 S145 N156 I157 N158 A159
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) K8 G11 G42 D160 K215
Catalytic site (residue number reindexed from 1) K8 G11 G42 D160 K215
Enzyme Commision number 2.7.2.8: acetylglutamate kinase.
Gene Ontology
Molecular Function
GO:0003991 acetylglutamate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0006526 L-arginine biosynthetic process
GO:0016310 phosphorylation
GO:0042450 arginine biosynthetic process via ornithine
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3l86, PDBe:3l86, PDBj:3l86
PDBsum3l86
PubMed
UniProtQ8DV44|ARGB_STRMU Acetylglutamate kinase (Gene Name=argB)

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