Structure of PDB 8tx6 Chain A Binding Site BS02

Receptor Information
>8tx6 Chain A (length=638) Species: 5518 (Fusarium graminearum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASAPIGVAIPRNNWAVTCDSAQSGNECNKAIDGNKDTFWHTQYGVNGDPK
PPHTITIDMKTVQNVNGLSVLPRQDGNQNGWIGRHEVYLSSDGVNWGSPV
ASGSWFADSTTKYSNFETRPARYVRLVAITEANGQPWTSIAEINVFQASS
YTAPQPGLGRWGPTIDLPIVPSAAAIEPTSGRVLMWSSYRQDAFEGSPGG
ITLTSSWDPSTGIVSDRTSTVTKHDMFCPGISMDGNGQIVVSGGNDAKKT
SLYDSSSDSWIPGPDMQVARGYQSSATMSDGRVFTIGGSFSGGVEKNGEV
YSPSSKTWTSLPNAKVNPMLTADKQGLYRSDNHAWLFGWKKGSVFQAGPS
TAMNWYYTSGSGDVKSAGKRQSNRGVAPDAMCGNAVMYDAVKGKILTFGG
SPDYEDSDATTNAHIITLGEPGTSPNTVFASNGLYFARTFHTSVVLPDGS
TFITGGQQRGIPTEDSTPVFTPEIYVPEQDTFYKQNPNSIVRAYHSISLL
LPDGRVFNGGGGLCGDCTTNHFDAQIFTPNYLYDSNGNLATRPKITRTST
QSVVVGGWITIWTDMSISAASLIRYGTATHTVNTDQRRIPLTLTNNGGNS
YSFQVPSDSGVALPGYWMLFVMNSAGVPSVASTIRVTQ
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8tx6 Chain A Residue 703 [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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PDB8tx6 Development of a Biocatalytic Aerobic Oxidation for the Manufacturing Route to Islatravir
Resolution1.56 Å
Binding residue
(original residue number in PDB)		K29 D32 N34 T37 A141 E142
Binding residue
(residue number reindexed from 1)		K29 D32 N34 T37 A141 E142
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:8tx6, PDBe:8tx6, PDBj:8tx6
PDBsum8tx6
PubMed
UniProtP0CS93|GAOA_GIBZA Galactose oxidase (Gene Name=GAOA)

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