Structure of PDB 6z1s Chain A Binding Site BS01

Receptor Information

>6z1s Chain A (length=381) Species: 573729 (Thermothelomyces thermophilus ATCC 42464)

GDDLTEPKELTDLFEKAKKAVIDRLHEDEKALRARPRCTADKLIFRREYG
SLSKDERLAYVNAVKCLQSKPPRTPASVAPGARSRFDDFVVVHIQQTLDI
HYSGIFQAWHRWFVYQYEKALRDECGYTGYQPYWDWPKYASAPQDSPLFN
GDPYSLGGNGEYVPHDGPVIVPPEGNISLPAGVGGGFVRTGPFANMTVNL
GPVGGLADTAPGPQGGLGYNPRGLKRDLGGAMNTRYANYTTVLRLLTQPD
VDAFRTVSEGVPYTVEIGPHNGIHYTIGGDPGGDLFTSPGDPAFWVHHAQ
MDRVWATWQALGLLPPGDPDPARRYTDLGKGDYAHRTWQNSPPSPFAELS
DVIDMGYAAPSTTIGAVMSTTEGELCYFYLE

Ligand information

• Ligand ID: SER
• InChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
• InChIKey: MTCFGRXMJLQNBG-REOHCLBHSA-N
• SMILES:
  CACTVS 3.341: N[CH](CO)C(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)N)O
  CACTVS 3.341: N[C@@H](CO)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CO
  OpenEye OEToolkits 1.5.0: C([C@@H](C(=O)O)N)O
• Formula: C3 H7 N O3
• Name: SERINE
• ChEMBL: CHEMBL11298
• DrugBank: DB00133
• ZINC: ZINC000000895034
• PDB chain: 6z1s Chain A Residue 507

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6z1s Considerations Regarding Activity Determinants of Fungal Polyphenol Oxidases Based on Mutational and Structural Studies.
• Resolution: 1.53 Å
• Binding residue (original residue number in PDB): H295 Y296 G303 G304 D305 L306
• Binding residue (residue number reindexed from 1): H274 Y275 G282 G283 D284 L285
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H118 H127 H291 H295 L306 H319
• Catalytic site (residue number reindexed from 1): H101 H110 H270 H274 L285 H298

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:6z1s, PDBe:6z1s, PDBj:6z1s
• PDBsum: 6z1s
• PubMed: 33741634
• UniProt: G2QLD3