Structure of PDB 6ky7 Chain A Binding Site BS04

Receptor Information

>6ky7 Chain A (length=595) Species: 72004 (Bos mutus)

SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAE
YEDGLALPFGWTQRKTRNGFRVPLAREVSNKIVGYLDEEGVLDQNRSLLF
MQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPK
LKTQGKCMPFSRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLA
SRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFINTTARVPCFL
AGDARASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKIL
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: 6ky7 Chain A Residue 621

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ky7 Crystal structure of yak lactoperoxidase at 2.27 A resolution
• Resolution: 2.27 Å
• Binding residue (original residue number in PDB): N230 K232 S235 C248
• Binding residue (residue number reindexed from 1): N230 K232 S235 C248
• 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:6ky7, PDBe:6ky7, PDBj:6ky7
• PDBsum: 6ky7
• UniProt: P80025|PERL_BOVIN Lactoperoxidase (Gene Name=LPO)