Structure of PDB 2eid Chain A Binding Site BS01

Receptor Information
>2eid 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
SLYDSSSDSWIPGPDMQVARGYQSSATMSDGRVFTIGGSGSGGVFEKNGE
VYSPSSKTWTSLPNAKVNPMLTADKQGLYRSDNHAWLFGWKKGSVFQAGP
STAMNWYYTSGSGDVKSAGKRQSNRGVAPDAMCGNAVMYDAVKGKILTFG
GSPDYQDSDATTNAHIITLGEPGTSPNTVFASNGLYFARTFHTSVVLPDG
STFITGGQRRGIPFEDSTPVFTPEIYVPEQDTFYKQNPNSIVRVYHSISL
LLPDGRVFNGGGGLCGDCTTNHFDAQIFTPNYLYNSNGNLATRPKITRTS
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 chain2eid Chain A Residue 640 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2eid The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis
Resolution2.2 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
Enzymatic activity
Catalytic site (original residue number in PDB) C228 Y272 G290 Y495 H496 H581
Catalytic site (residue number reindexed from 1) C228 Y272 G290 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:2eid, PDBe:2eid, PDBj:2eid
PDBsum2eid
PubMed17385891
UniProtP0CS93|GAOA_GIBZA Galactose oxidase (Gene Name=GAOA)

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