Structure of PDB 6l2j Chain A Binding Site BS06

Receptor Information

>6l2j Chain A (length=595) Species: 72004 (Bos mutus)

SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAE
YEDGLALPFGWTQRKTRNGFRVPLAREVSNKIVGYLDEEGVLDQNRSLLF
MQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPK
LKTQGKCMPFSRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLA
SRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFINTTARVPCFL
AGDSRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKIL
GAFIQIITFRDYLPIVLGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFG
HMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLL
AKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYN
SWRGFCGLSQPKTLKGLQTVLKNKILAKKLMDLYKTPDNIDIWIGGNAEP
MVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKVSFS
RLICDNTHITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN

Ligand information

• Ligand ID: OSM
• InChI: InChI=1S/CH5NOS/c2-1-4-3/h4H,1-2H2
• InChIKey: KONFWJXIYYGXOO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(N)S=O
  CACTVS 3.341: NC[S@H]=O
  OpenEye OEToolkits 1.5.0: C(N)[S@@H]=O
  ACDLabs 10.04: O=SCN
  CACTVS 3.341: NC[SH]=O
• Formula: C H5 N O S
• Name: 1-(OXIDOSULFANYL)METHANAMINE
• PDB chain: 6l2j Chain A Residue 647

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6l2j Crystal structure of yak lactoperoxidase at 1.93 A resolution.
• Resolution: 1.933 Å
• Binding residue (original residue number in PDB): Q468 K478
• Binding residue (residue number reindexed from 1): Q468 K478
• Annotation score: 1

Enzymatic activity

• 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:6l2j, PDBe:6l2j, PDBj:6l2j
• PDBsum: 6l2j
• UniProt: P80025|PERL_BOVIN Lactoperoxidase (Gene Name=LPO)