Structure of PDB 3pgb Chain A Binding Site BS01

Receptor Information
>3pgb Chain A (length=740) Species: 162425 (Aspergillus nidulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASPCQITPPQEIKAPKENVWYGLTDDETADVAKWLFGRPELNLTTTENAG
EWDNTIALIELHRPNKSEAIPYLDGAPTRHAHVRLNNRATTDPYFADILV
GPLPVSNATTWEPLEFPYTRKTQGQVRNVEPDGETVYSEWLFKISASIAD
ITLDLWNGTALGLENDTLDIWGIDPLWQDDGRIIRWDMFWNMADDEFDSE
TLLPLGLYLKSDVTGRDPSQWKLLGWMYNDIFYETTEEFRKAYWSPGFVK
LKPNVDGAWAHTEQRGPVPPQDRKQPPVMIAPDGARYSVDAERKYVTWMD
FSFYIAFNRDTGLSLFDIKYKGQRVLYELGLQEALAHYAANDPVQSSVAY
LDSYYGFGPYAFELLKGYDCPSYASYLNTSFYKDEETHTHVDSLCLFEFD
ADYPMARHSTSEFVSVTKNVYFTLRSVSTIGNYDYMFSYNFHMDGTIGVE
VRASGYIQSAYYANNQDFGYQIHDSLSGSMHDHVLNFKADFDILGPNNTI
ELVSVVPVTKQFSWSGNKTRNTMQLGRSFIHSEDEARLNWGFNGQTQLHV
VNQDKPNKFGEPRGYRILPSAGTAHLTVLNSSNLVHAAHWAEYDVQVTRQ
HDFEPTSAHPYNSQDIHNPPVDFSTFFNGESLNQTDLVVWLNLGMHHVPH
TGDLPNTVFTTAHSGVAFTPLNYLPGDPSRETVNMVRVDYSDGAATAVRT
FGQSNETCSVVLQPVENELWSYQGDVVVRKFPYDPNDPFY
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain3pgb Chain B Residue 4 [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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PDB3pgb Structure and Activity of Aspergillus nidulans Copper Amine Oxidase
Resolution2.45 Å
Binding residue
(original residue number in PDB)		W120 R287
Binding residue
(residue number reindexed from 1)		W52 R216
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y409 D423 Y504 H552 H554 H718
Catalytic site (residue number reindexed from 1) Y338 D352 Y433 H481 H483 H647
Enzyme Commision number 1.4.3.-
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0008131 primary methylamine oxidase activity
GO:0048038 quinone binding
Biological Process
GO:0009308 amine metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3pgb, PDBe:3pgb, PDBj:3pgb
PDBsum3pgb
PubMed21604787
UniProtQ5B038

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