Structure of PDB 6ubz Chain A Binding Site BS01

Receptor Information

>6ubz Chain A (length=791) Species: 1365250 (Pseudoalteromonas luteoviolacea DSM 6061)

CQYKIYPPLGIARVGNGPAIKPLSLSTPEVPWAHLYDTNVQYLVTQQELE
QLLEEAFGGNVINEISQIKTKLDERKAEKFKQEEIETITGLLGLSHLVPQ
QQLSRSLDNLELKSDDIVQQIKGALLKVLSDHYLHAVKKQAQNFYIYKCD
NPVEKLKLTDGDKVTWRVEVANKKSFWYDYNNALDLSLHTQGSGNLSKNV
SKHRLAPAMTAKRRNPNVITNSLRKQLVISSQGSVSSDNNTQVPLRGKFP
ANERHNVLQGSIECDNEGVLRFYAGNGISQALSPSSLNTDFADNSNWFDD
ICDGRVTAVVELKNGDTFEIQDEQSSAWVATTPPDYAPQIEPIVTMYDMV
SGAALKEQDLDNLTTQFSDVFPILYRLYRMQWVNQADFTDNAVNTQIREL
NSELGFAQLLDNSASAKSLREGIFNQFRNPLFDQDIDVDDPGQSSNEWVS
NSRIIPSKDETNIAAKPATSSLKLPFYPNDGIDYPGSPVQWFAIPPFMYQ
HLQNWAAGDFSVTQVEKESANTIEELGLFYSEQFKNSPNSALLCARGALD
ALYGGGFHPGVELTWPMRHNLIYSQNDYVSSVTPEINLLGLREFRLKQDL
QGLNSPNMYQDFGHVIAVDNVTASIDPNSDAAWLWRSTPGDLTKWMGIPW
QSAAASCQAVYTPEDFPIPSWWAANLPVHVLPLARYNKFKDSQSADLPEI
NGMTHSIAQGMSEETFEHLRLEQFSQRLDWLHTADLGFVGYHAEGGYTNG
LIQMVSQWKNMAMVMARPVENPGSSGIPNVVYVAYSQADKD

Ligand information

• Ligand ID: GLY
• InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
• InChIKey: DHMQDGOQFOQNFH-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C(=O)O)N
  CACTVS 3.341: NCC(O)=O
  ACDLabs 10.04: O=C(O)CN
• Formula: C2 H5 N O2
• Name: GLYCINE
• ChEMBL: CHEMBL773
• DrugBank: DB00145
• ZINC: ZINC000004658552
• PDB chain: 6ubz Chain B Residue 902

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ubz Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase.
• Resolution: 1.83 Å
• Binding residue (original residue number in PDB): Y766 H767
• Binding residue (residue number reindexed from 1): Y741 H742
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:6ubz, PDBe:6ubz, PDBj:6ubz
• PDBsum: 6ubz
• PubMed: 31615898
• UniProt: A0A161XU12