Structure of PDB 1o9o Chain B Binding Site BS01

Receptor Information

>1o9o Chain B (length=412) Species: 375 (Bradyrhizobium japonicum)

MISLADLQRRIETGELSPNAAIAQSHAAIEAREKEVHAFVRHDKSARAQA
SGPLRGIAVGIKDIIDTANMPTEMGSEIYRGWQPRSDAPVVMMLKRAGAT
IIGKTTTTAFASRDPTATLNPHNTGHSPGGASSGSAAAVGAGMIPLALGT
QTGGSVIRPAAYCGTAAIKPSFRMLPTVGVKCYSWALDTVGLFGARAEDL
ARGLLAMTGRSEFSGIVPAKAPRIGVVRQEFAGAVEPAAEQGLQAAIKAA
ERAGASVQAIDLPEAVHEAWRIHPIIQDFEAHRALAWEFSEHHDEIAPML
RASLDATVGLTPKEYDEARRIGRRGRRELGEVFEGVDVLLTYSAPGTAPA
KALASTGDPRYNRLWTLMGNPCVNVPVLKVGGLPIGVQVIARFGNDAHAL
ATAWFLEDALAK

Ligand information

• Ligand ID: MLM
• InChI: InChI=1S/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7)
• InChIKey: CGJMROBVSBIBKP-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: NC(=O)CC(O)=O
  OpenEye OEToolkits 1.5.0: C(C(=O)N)C(=O)O
  ACDLabs 10.04: O=C(N)CC(=O)O
• Formula: C3 H5 N O3
• Name: 3-AMINO-3-OXOPROPANOIC ACID
• DrugBank: DB02649
• ZINC: ZINC000000901948
• PDB chain: 1o9o Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1o9o Characterization of a Novel Ser-Cisser-Lys Catalytic Triad in Comparison with the Classical Ser-His-Asp Triad
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): A111 T152 G153 G154 S155 R158 P359
• Binding residue (residue number reindexed from 1): A111 T152 G153 G154 S155 R158 P359
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K62 A131 S132 T150 T152 G153 G154 S155 R158
• Catalytic site (residue number reindexed from 1): K62 A131 S132 T150 T152 G153 G154 S155 R158

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity

External links

• PDB: RCSB:1o9o, PDBe:1o9o, PDBj:1o9o
• PDBsum: 1o9o
• PubMed: 12711609
• UniProt: Q9ZIV5