Structure of PDB 2vz1 Chain A Binding Site BS01

Receptor Information
>2vz1 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 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 chain2vz1 Chain A Residue 1640 [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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PDB2vz1 Cross-Link Formation of the Cysteine 228-Tyrosine 272 Catalytic Cofactor of Galactose Oxidase Does not Require Dioxygen.
Resolution1.91 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
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:2vz1, PDBe:2vz1, PDBj:2vz1
PDBsum2vz1
PubMed18771294
UniProtP0CS93|GAOA_GIBZA Galactose oxidase (Gene Name=GAOA)

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