Structure of PDB 4add Chain B Binding Site BS01

Receptor Information

>4add Chain B (length=400) Species: 511693 (Escherichia coli BL21)

QPITRENFDEWMIPVYAPAPFIPVRGEGSRLWDQQGKEYIDFAGGIAVNA
LGHAHPELREALNEQASKFWHTGNGYTNEPVLRLAKKLIDATFADRVFFC
NSGAEANEAALKLARKFAHDRYGSHKSGIVAFKNAFHGRTLFTVSAGGQP
AYSQDFAPLPADIRHAAYNDINSASALIDDSTCAVIVEPIQGEGGVVPAS
NAFLQGLRELCNRHNALLIFDEVQTGVGRTGELYAYMHYGVTPDLLTTAK
ALGGGFPVGALLATEECARVMTVGTHGTTYGGNPLASAVAGKVLELINTP
EMLNGVKQRHDWFVERLNTINHRYGLFSEVRGLGLLIGCVLNADYAGQAK
QISQEAAKAGVMVLIAGGNVVRFAPALNVSEEEVTTGLDRFAAACEHFVS

Ligand information

• Ligand ID: SUO
• InChI: InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
• InChIKey: VWXQFHJBQHTHMK-LURJTMIESA-N
• SMILES:
  CACTVS 3.341: NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
  OpenEye OEToolkits 1.5.0: C(CC(C(=O)O)NC(=O)CCC(=O)O)CN
  CACTVS 3.341: NCCC[CH](NC(=O)CCC(O)=O)C(O)=O
  ACDLabs 10.04: O=C(NC(C(=O)O)CCCN)CCC(=O)O
  OpenEye OEToolkits 1.5.0: C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN
• Formula: C9 H16 N2 O5
• Name: N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE;
  N~2~-SUCCINYLORNITHINE
• DrugBank: DB03582
• PDB chain: 4add Chain A Residue 411

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4add Determination of the Structure of the Catabolic N-Succinylornithine Transaminase (Astc) from Escherichia Coli.
• Resolution: 2.45 Å
• Binding residue (original residue number in PDB): G77 G279
• Binding residue (residue number reindexed from 1): G75 G277
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): F138 E190 D223 Q226 K252 T281 R374
• Catalytic site (residue number reindexed from 1): F136 E188 D221 Q224 K250 T279 R372
• Enzyme Commision number: 2.6.1.81: succinylornithine transaminase.

Gene Ontology

Molecular Function

• GO:0003992 N2-acetyl-L-ornithine:2-oxoglutarate 5-aminotransferase activity
• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding
• GO:0042802 identical protein binding
• GO:0043825 succinylornithine transaminase activity

Biological Process

• GO:0006520 amino acid metabolic process
• GO:0006525 arginine metabolic process
• GO:0006526 L-arginine biosynthetic process
• GO:0006527 arginine catabolic process
• GO:0006593 ornithine catabolic process
• GO:0019544 arginine catabolic process to glutamate
• GO:0019545 arginine catabolic process to succinate
• GO:0042450 arginine biosynthetic process via ornithine

External links

• PDB: RCSB:4add, PDBe:4add, PDBj:4add
• PDBsum: 4add
• PubMed: 23484010
• UniProt: P77581|ASTC_ECOLI Succinylornithine transaminase (Gene Name=astC)