Structure of PDB 3fpx Chain A Binding Site BS01

Receptor Information
>3fpx Chain A (length=499) Species: 5327 (Trametes hirsuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVGPVADLTITDAAVSPDGFSRQAVVVNGVTPGPLVAGNIGDRFQLNVID
NLTNHTMLKSTSIHWHGFFQHGTNWADGPAFINQCPISPGHSFLYDFQVP
DQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPHASRYDVDNDDTVITLAD
WYHTAAKLGPRFPGGADATLINGKGRAPSDSVAELSVIKVTKGKRYRFRL
VSLSCNPNHTFSIDGHNLTIIEVDSVNSQPLEVDSIQIFAAQRYSFVLDA
NQAVDNYWIRANPNFGNVGFDGGINSAILRYDGAPAVEPTTNQTTSVKPL
NEVDLHPLVSTPVPGSPSSGGVDKAINMAFNFNGSNFFINGASFVPPTVP
VLLQILSGAQTAQDLLPSGSVYVLPSNASIEISFPATAAAPGAPHPFHLH
GHTFAVVRSAGSTVYNYDNPIFRDVVSTGTPAAGDNVTIRFDTNNPGPWF
LHCHIDFHLEGGFAVVMAEDTPDVKAVNPVPQAWSDLCPTYDALDPNDQ
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 chain3fpx Chain B Residue 5 [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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PDB3fpx Crystallization and preliminary X-ray analysis of a four-copper laccase from Coriolus hirsutus
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S21 Q23
Binding residue
(residue number reindexed from 1)		S21 Q23
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H64 H66 H109 H111 H395 H398 H400 H452 C453 H454 I455 H458 F463
Catalytic site (residue number reindexed from 1) H64 H66 H109 H111 H395 H398 H400 H452 C453 H454 I455 H458 F463
Enzyme Commision number 1.10.3.2: laccase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0052716 hydroquinone:oxygen oxidoreductase activity
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3fpx, PDBe:3fpx, PDBj:3fpx
PDBsum3fpx
PubMed
UniProtB2L9C1

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