Structure of PDB 3zzf Chain B Binding Site BS01

Receptor Information

>3zzf Chain B (length=289) Species: 4932 (Saccharomyces cerevisiae)

GFSATRSTVIQLLNNISTKREVEQYLKYFTSVSQQQFAVIKVGGAIISDN
LHELASCLAFLYHVGLYPIVLHGTGPQVNGRLEAQGIEPDYIDGIRITDE
HTMAVVRKCFLEQNLKLVTALEQLGVRARPITSGVFTADYLDKDKYKLVG
NIKSVTKEPIEASIKAGALPILTSLAETASGQMLNVNADVAAGELARVFE
PLKIVYLNEKGGIINGSTGEKISMINLDEEYDDLMKQSWVKYGTKLKIRE
IKELLDYLPRSSSVAIINVQDLQKELFTDSGAGTMIRRG

Ligand information

• Ligand ID: NLG
• InChI: InChI=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
• InChIKey: RFMMMVDNIPUKGG-YFKPBYRVSA-N
• SMILES:
  ACDLabs 10.04: O=C(NC(C(=O)O)CCC(=O)O)C
  OpenEye OEToolkits 1.5.0: CC(=O)N[C@@H](CCC(=O)O)C(=O)O
  CACTVS 3.341: CC(=O)N[C@@H](CCC(O)=O)C(O)=O
  CACTVS 3.341: CC(=O)N[CH](CCC(O)=O)C(O)=O
  OpenEye OEToolkits 1.5.0: CC(=O)NC(CCC(=O)O)C(=O)O
• Formula: C7 H11 N O5
• Name: N-ACETYL-L-GLUTAMATE
• ChEMBL: CHEMBL1234751
• DrugBank: DB04075
• ZINC: ZINC000001532704
• PDB chain: 3zzf Chain B Residue 1361

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3zzf Insight on an Arginine Synthesis Metabolon from the Tetrameric Structure of Yeast Acetylglutamate Kinase
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): G135 T136 G137 R158 N247 V248 N249 A250
• Binding residue (residue number reindexed from 1): G73 T74 G75 R96 N185 V186 N187 A188
• Annotation score: 3
• Binding affinity: MOAD: Ki=400mM

Enzymatic activity

• Catalytic site (original residue number in PDB): K103 G106 G137 D251 K309
• Catalytic site (residue number reindexed from 1): K41 G44 G75 D189 K247
• Enzyme Commision number: 1.2.1.38: N-acetyl-gamma-glutamyl-phosphate reductase.
  2.7.2.8: acetylglutamate kinase.

Gene Ontology

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3zzf, PDBe:3zzf, PDBj:3zzf
• PDBsum: 3zzf
• PubMed: 22529931
• UniProt: Q01217|ARG56_YEAST Protein ARG5,6, mitochondrial (Gene Name=ARG5,6)