Structure of PDB 2eie Chain A Binding Site BS01

Receptor Information
>2eie Chain A (length=639) Species: 5518 (Fusarium graminearum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASAPIGSAISRNNWAVTCDSAQSGNECNKAIDGNKDTFWHTFYGANGDPK
PPHTYTIDMKTTQNVNGLSMLPRQDGNQNGWIGRHEVYLSSDGTNWGSPV
ASGSWFADSTTKYSNFETRPARYVRLVAITEANGQPWTSIAEINVFQASS
YTAPQPGLGRWGPTIDLPIVPAAAAIEPTSGRVLMWSSYRNDAFGGSPGG
ITLTSSWDPSTGIVSDRTVTVTKHDMFCPGISMDGNGQIVVTGGNDAKKT
SLYDSSSDSWIPGPDMQVARGYQSSATMSDGRVFTIGGSWSGGVFEKNGE
VYSPSSKTWTSLPNAKVNPMLTADKQGLYRSDNHAWLFGWKKGSVFQAGP
STAMNWYYTSGSGDVKSAGKRQSNRGVAPDAMCGNAVMYDAVKGKILTFG
GSPDYQDSDATTNAHIITLGEPGTSPNTVFASNGLYFARTFHTSVVLPDG
STFITGGQRRGIPFEDSTPVFTPEIYVPEQDTFYKQNPNSIVRVYHSISL
LLPDGRVFNGGGGLCGDCTTNHFDAQIFTPNYLYNSNGNLATRPKITRTS
TQSVKVGGRITISTDSSISKASLIRYGTATHTVNTDQRRIPLTLTNNGGN
SYSFQVPSDSGVALPGYWMLFVMNSAGVPSVASTIRVTQ
Ligand information
Ligand IDAZI
InChIInChI=1S/N3/c1-3-2/q-1
InChIKeyIVRMZWNICZWHMI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[N-]=[N+]=[N-]
FormulaN3
NameAZIDE ION
ChEMBLCHEMBL79455
DrugBank
ZINC
PDB chain2eie Chain A Residue 2391 [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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PDB2eie The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F194 Y272 W290 Y495 H496
Binding residue
(residue number reindexed from 1)		F194 Y272 W290 Y495 H496
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C228 Y272 W290 Y495 H496 H581
Catalytic site (residue number reindexed from 1) C228 Y272 W290 Y495 H496 H581
Enzyme Commision number 1.1.3.9: galactose oxidase.
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:2eie, PDBe:2eie, PDBj:2eie
PDBsum2eie
PubMed17385891
UniProtP0CS93|GAOA_GIBZA Galactose oxidase (Gene Name=GAOA)

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