Structure of PDB 8tx5 Chain B Binding Site BS01

Receptor Information
>8tx5 Chain B (length=639) Species: 5518 (Fusarium graminearum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASAPIGSAIPRNNWAVTCDSAQSGNECNKAIDGNKDTFWHTFYGANGDPK
PPHTYTIDMKTTQNVNGLSVLPRQDGNQNGWIGRHEVYLSSDGTNWGSPV
ASGSWFADSTTKYSNFETRPARYVRLVAITEANGQPWTSIAEINVFQASS
YTAPQPGLGRWGPTIDLPIVPAAAAIEPTSGRVLMWSSYRNDAFEGSPGG
ITLTSSWDPSTGIVSDRTSTVTKHDMFCPGISMDGNGQIVVTGGNDAKKT
SLYDSSSDSWIPGPDMQVARGYQSSATMSDGRVFTIGGSFSGGRVEKNGE
VYSPSSKTWTSLPNAKVNPMLTADKQGLYRSDNHAWLFGWKKGSVFQAGP
STAMNWYYTSGSGDVKSAGKRQSNRGVAPDAMCGNAVMYDAVKGKILTFG
GSPDYEDSDATTNAHIITLGEPGTSPNTVFASNGLYFARTFHTSVVLPDG
STFITGGQRRGIPTEDSTPVFTPEIYVPEQDTFYKQNPNSIVRAYHSISL
LLPDGRVFNGGGGLCGDCTTNHFDAQIFTPNYLYDSNGNLATRPKITRTS
TQSVKVGGRITISTDSSISKASLIRYGTATHTVNTDQRRIPLTLTNNGGN
SYSFQVPSDSGVALPGYWMLFVMNSAGVPSVASTIRVTQ
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain8tx5 Chain B Residue 1001 [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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PDB8tx5 Development of a Biocatalytic Aerobic Oxidation for the Manufacturing Route to Islatravir
Resolution1.93 Å
Binding residue
(original residue number in PDB)
Y272 Y495 H496 H581
Binding residue
(residue number reindexed from 1)
Y272 Y495 H496 H581
Annotation score1
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0045480 galactose oxidase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005576 extracellular region

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Molecular Function

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Cellular Component
External links
PDB RCSB:8tx5, PDBe:8tx5, PDBj:8tx5
PDBsum8tx5
PubMed
UniProtP0CS93|GAOA_GIBZA Galactose oxidase (Gene Name=GAOA)

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