Structure of PDB 1ocm Chain A Binding Site BS01

Receptor Information

>1ocm Chain A (length=412) Species: 375 (Bradyrhizobium japonicum)

MISLADLQRRIETGELSPNAAIAQSHAAIEAREKEVHAFVRHDKSARAQA
SGPLRGIAVGIKDIIDTANMPTEMGSEIYRGWQPRSDAPVVMMLKRAGAT
IIGKTTTTAFASRDPTATLNPHNTGHSPGGSSSGSAAAVGAGMIPLALGT
QTGGSVIRPAAYCGTAAIKPSFRMLPTVGVKCYSWALDTVGLFGARAEDL
ARGLLAMTGRSEFSGIVPAKAPRIGVVRQEFAGAVEPAAEQGLQAAIKAA
ERAGASVQAIDLPEAVHEAWRIHPIIQDFEAHRALAWEFSEHHDEIAPML
RASLDATVGLTPKEYDEARRIGRRGRRELGEVFEGVDVLLTYSAPGTAPA
KALASTGDPRYNRLWTLMGNPCVNVPVLKVGGLPIGVQVIARFGNDAHAL
ATAWFLEDALAK

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 1ocm Chain A Residue 1155

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ocm Characterization of a Novel Ser-Cisser-Lys Catalytic Triad in Comparison with the Classical Ser-His-Asp Triad.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): R113 S131 Q151 T152 G153 G154 S155 R158 P359
• Binding residue (residue number reindexed from 1): R113 S131 Q151 T152 G153 G154 S155 R158 P359
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): K62 S131 S132 T152 G153 G154 S155
• Catalytic site (residue number reindexed from 1): K62 S131 S132 T152 G153 G154 S155

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity

External links

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