Structure of PDB 7rgb Chain A Binding Site BS01

Receptor Information

>7rgb Chain A (length=372) Species: 43657 (Pseudoalteromonas luteoviolacea)

YDSLTEVEVEGLSYLYNFADGHAYHDINEHYVDIINNLQRYWQEGKDHSI
PDMEKAFKNQFAELIDSSTLHSTNHFSVCPTASNSIDIVAAWLHKENKRT
ALIEPAFDNLYLLLKRRGVDISAFDELALKNEHQLAQIVSSGDIDALFLV
NPNNPTGLEMTESEFVYLVEQCKAHNITILLDRTFRIYGKTNFDDYQILE
QSGIDYVVIEDTGKTWPTQDLKISLMVYSEAISSTMRLLYEEIFLCSSNF
ALALLKQFVAVTAKFGVDATIKNEVRRRSETINDALAGTGLKVFDNKCQL
PLCWIDISATGYDDVSFAARLKEHDIAVLPGRFFYWNSKSQHTQFIRVSL
MKPDAEFYEGIGKLKEAVTRIL

Ligand information

• Ligand ID: 4VI
• InChI: InChI=1S/C6H10N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3,7H,2H2,(H,11,12)(H4,8,9,10)/b3-1+,7-4-
• InChIKey: DTYASQOTNAATQJ-QJBDDWKRSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C(C=CNC(=N)N)C(=N)C(=O)O
  OpenEye OEToolkits 2.0.7: [H]/N=C(/C/C=C/N/C(=N\[H])/N)\C(=O)O
  CACTVS 3.385: NC(=N)NC=CCC(=N)C(O)=O
  CACTVS 3.385: NC(=N)N/C=C/CC(=N)C(O)=O
  ACDLabs 12.01: N=C(C\C=C\NC(=N)N)C(=O)O
• Formula: C6 H10 N4 O2
• Name: (2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid
• PDB chain: 7rgb Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7rgb A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): T10 E13 D25 G26 F112 N159 X219 R354
• Binding residue (residue number reindexed from 1): T5 E8 D20 G21 F107 N154 X214 R347
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0006520 amino acid metabolic process
• GO:0009058 biosynthetic process

External links

• PDB: RCSB:7rgb, PDBe:7rgb, PDBj:7rgb
• PDBsum: 7rgb
• PubMed: 34580201
• UniProt: A0A0C1MLE8