Structure of PDB 1bcr Chain A Binding Site BS02

Receptor Information

>1bcr Chain A (length=254) Species: 4565 (Triticum aestivum)

HAADRIARLPGQPAVDFDMYSGYITVDEGAGRSLFYLLQEAPEDAQPAPL
VLWLNGGPGCSSVAYGASEELGAFRVKPRGAGLVLNEYRWNKVANVLFLD
SPAGVGFSYTNTSSDIYTSGDNRTAHDSYAFLAKWFERFPHYKYRDFYIA
GESYAGHYVPELSQLVHRSKNPVINLKGFMVGNGLIDDYHDYVGTFEFWW
NHGIVSDDTYRRLKEACLHDSFIHPSPACDAATDVATAEQGNIDMYSLYT
PVCN

Ligand information

• Ligand ID: ARG
• InChI: InChI=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
• InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-O
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CC(C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[C@@H](CCCNC(N)=[NH2+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[CH](CCCNC(N)=[NH2+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCN\C(=[NH2+])N
• Formula: C6 H15 N4 O2
• Name: ARGININE
• PDB chain: 1bcr Chain A Residue 426

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1bcr Peptide aldehyde complexes with wheat serine carboxypeptidase II: implications for the catalytic mechanism and substrate specificity.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): N51 G52 G53 E145 Y239
• Binding residue (residue number reindexed from 1): N55 G56 G57 E152 Y246
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): G53 S146 Y147
• Catalytic site (residue number reindexed from 1): G57 S153 Y154
• Enzyme Commision number: 3.4.16.6: carboxypeptidase D.

Gene Ontology

Molecular Function

• GO:0004185 serine-type carboxypeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:1bcr, PDBe:1bcr, PDBj:1bcr
• PDBsum: 1bcr
• PubMed: 8636973
• UniProt: P08819|CBP2_WHEAT Serine carboxypeptidase 2 (Gene Name=CBP2)