-OEChem-09021010393D

 11 11  0     0  0  0  0  0  0999 V2000
    6.1050    4.4890   27.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6770    0.7630   29.3060 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2950    2.4510   26.2290 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5520    2.2800   27.4820 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2430    3.1670   29.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0840    1.8910   29.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880    3.3450   28.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6840    4.2410   29.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3360    1.7580   31.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8880    4.1180   31.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    2.8620   31.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_MMDB_MOLECULE_NAME>
SHA

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
57410892

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
MMDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
70576.23

> <PUBCHEM_SUBSTANCE_COMMENT>
PDB Accession Code 3GCJ
Mode Of Ligand Binding And Assignment Of Subsites In Mammalian Peroxidases: Crystal Structure Of Lactoperoxidase Complexes With Acetyl Salycylic Acid, Salicylhydroxamic Acid And Benzylhydroxamic Acid
Oxidoreductase
Mode Of Ligand Binding And Assignment Of Subsites In Mammalian Peroxidases: Crystal Structure Of Lactoperoxidase Complexes With Acetyl Salycylic Acid, Salicylhydroxamic Acid And Benzylhydroxamic Acid Peroxidase, Heme, Oxidation, Oxidoreductase, Antibiotic, Antimicrobial, Calcium, Cleavage On Pair Of Basic Residues, Glycoprotein, Hydrogen Peroxide, Iron, Metal-Binding, Secreted Mol_id: 1; Molecule: Lactoperoxidase; Chain: A; Fragment: Unp Residues 118-712; Synonym: Lpo; Ec: 1.11.1.7

> <PUBCHEM_SUBSTANCE_SYNONYM>
SHA

> <PUBCHEM_XREF_EXT_ID>
70576.23

> <PUBCHEM_NCBI_MMDB_ID>
70576

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ncbi.nlm.nih.gov/Structure/MMDB/mmdb.shtml

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=70576

> <PUBCHEM_CID_ASSOCIATIONS>
66644  1

> <PUBCHEM_CONFORMER_ID>
036C054C00010001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$