Structure of PDB 4kzt Chain B Binding Site BS01

Receptor Information
>4kzt Chain B (length=431) Species: 394221 (Maricaulis maris MCS10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RQTIVQLLSHMRDGKEIREYLHRFSGIDQERFAVIKVGGAVIQDDLPGLA
SALAFLQTVGLTPVVVHGGGPQLDAALEAADIPTERVDGLRVTRDEAMPI
IRDTLTQANLALVDAIRDAGGRAAAVPRGVFEADIVDADKLGRVGEPRHI
HLDLVGSAARAGQAAILACLGETPDGTLVNINADVAVRALVHALQPYKVV
FLTGTGGLLDEDGDILSSINLATDFGDLMQADWVNGGMRLKLEEIKRLLD
DLPLSSSVSITRPSELARELFTHAGSGTLIRRGERMVATDDKSSLDLGRL
DNLVKAAFGRPAVEGYWDRLRVDRAFVTESYRAAAITTRLDGWVYLDKFA
VLDDARGEGLGRTVWNRMVDYAPQLIWRSRTNNPVNGFYFEECDGAVRRD
EWTVFWRGEMGPVEVADVVEKAFALPPTLEA
Ligand information
Ligand IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain4kzt Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kzt Structure of N-acetyl-L-glutamate synthase/kinase from Maricaulis maris with the allosteric inhibitor L-arginine bound.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y28 K206 S225 E277 L278 T280 H281 A282 G283 G285 L287
Binding residue
(residue number reindexed from 1)		Y20 K198 S217 E269 L270 T272 H273 A274 G275 G277 L279
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K44 G47 G78 D192 K249
Catalytic site (residue number reindexed from 1) K36 G39 G70 D184 K241
Enzyme Commision number 2.7.2.8: acetylglutamate kinase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003991 acetylglutamate kinase activity
GO:0004042 L-glutamate N-acetyltransferase activity
GO:0016301 kinase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0006526 L-arginine biosynthetic process
GO:0016310 phosphorylation
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:4kzt, PDBe:4kzt, PDBj:4kzt
PDBsum4kzt
PubMed23850694
UniProtQ0ASS9

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