Structure of PDB 6z1s Chain A Binding Site BS03

Receptor Information
>6z1s Chain A (length=381) Species: 573729 (Thermothelomyces thermophilus ATCC 42464) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDDLTEPKELTDLFEKAKKAVIDRLHEDEKALRARPRCTADKLIFRREYG
SLSKDERLAYVNAVKCLQSKPPRTPASVAPGARSRFDDFVVVHIQQTLDI
HYSGIFQAWHRWFVYQYEKALRDECGYTGYQPYWDWPKYASAPQDSPLFN
GDPYSLGGNGEYVPHDGPVIVPPEGNISLPAGVGGGFVRTGPFANMTVNL
GPVGGLADTAPGPQGGLGYNPRGLKRDLGGAMNTRYANYTTVLRLLTQPD
VDAFRTVSEGVPYTVEIGPHNGIHYTIGGDPGGDLFTSPGDPAFWVHHAQ
MDRVWATWQALGLLPPGDPDPARRYTDLGKGDYAHRTWQNSPPSPFAELS
DVIDMGYAAPSTTIGAVMSTTEGELCYFYLE
Ligand information
Ligand IDGLY
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N
CACTVS 3.341NCC(O)=O
ACDLabs 10.04O=C(O)CN
FormulaC2 H5 N O2
NameGLYCINE
ChEMBLCHEMBL773
DrugBankDB00145
ZINCZINC000004658552
PDB chain6z1s Chain A Residue 510 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6z1s Considerations Regarding Activity Determinants of Fungal Polyphenol Oxidases Based on Mutational and Structural Studies.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		Y132 E135 C400 Y401
Binding residue
(residue number reindexed from 1)		Y115 E118 C376 Y377
Annotation score4
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
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6z1s, PDBe:6z1s, PDBj:6z1s
PDBsum6z1s
PubMed33741634
UniProtG2QLD3

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