Structure of PDB 5b72 Chain A Binding Site BS02

Receptor Information

>5b72 Chain A (length=595) Species: 9913 (Bos taurus)

SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAE
YEDGLALPFGWTQRKTRNGFRVPLAREVSNKIVGYLDEEGVLDQNRSLLF
MQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPK
LKTQGKCMPFFRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLA
SRLRNLSSPLGLMAVNQEASDHGLAYLPFNNKKPSPCEFINTTARVPCFL
AGDSRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKIL
GAFIQIITFRDYLPIVLGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFG
HMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLL
AKKSKLMNQKKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYN
SWRGFCGLSQPKTLKGLQTVLKNKILAKKLMDLYKTPDNIDIWIGGNAEP
MVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKMSFS
RLICDNTHITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5b72 Chain A Residue 813

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5b72 Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution
• Resolution: 1.98 Å
• Binding residue (original residue number in PDB): D110 T184 F186 D188 S190
• Binding residue (residue number reindexed from 1): D110 T184 F186 D188 S190
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Q105 D108 H109 D110 T184 F186 D188 S190 R255 E258 H351
• Catalytic site (residue number reindexed from 1): Q105 D108 H109 D110 T184 F186 D188 S190 R255 E258 H351
• Enzyme Commision number: 1.11.1.7: peroxidase.

Gene Ontology

Molecular Function

• GO:0004601 peroxidase activity
• GO:0020037 heme binding

Biological Process

• GO:0006979 response to oxidative stress

External links

• PDB: RCSB:5b72, PDBe:5b72, PDBj:5b72
• PDBsum: 5b72
• PubMed: 27986533
• UniProt: P80025|PERL_BOVIN Lactoperoxidase (Gene Name=LPO)