Structure of PDB 1qpa Chain B Binding Site BS04

Receptor Information
>1qpa Chain B (length=344) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VACPDGVHTASNAACCAWFPVLDDIQQNLFHGGQCGAEAHEALRMVFHDS
IAISPKLQSQGKFGGGGADGSIITFSSIETTYHPNIGLDEVVAIQKPFIA
KHGVTPGDFIAFAGAVGVSNCPGAPQMQFFLGRPEATQAAPDGLVPEPFH
TIDQVLARMLDAGGFDEIETVWLLSAHSIAAANDVDPTISGLPFDSTPGQ
FDSQFFVETQLRGTAFPGKTGIQGTVMSPLKGEMRLQTDHLFARDSRTAC
EWQSFVNNQTKLQEDFQFIFTALSTLGHDMNAMIDCSEVIPAPKPVNFGP
SFFPAGKTHADIEQACASTPFPTLITAPGPSASVARIPPPPSPN
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 chain1qpa Chain B Residue 375 [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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PDB1qpa The crystal structure of lignin peroxidase at 1.70 A resolution reveals a hydroxy group on the cbeta of tryptophan 171: a novel radical site formed during the redox cycle.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L229 K230 K308 S332 A333
Binding residue
(residue number reindexed from 1)		L230 K231 K307 S331 A332
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H176 F193
Catalytic site (residue number reindexed from 1) H177 F194
Enzyme Commision number 1.11.1.14: lignin peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0016690 diarylpropane peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0000302 response to reactive oxygen species
GO:0006979 response to oxidative stress
GO:0034599 cellular response to oxidative stress
GO:0042744 hydrogen peroxide catabolic process
GO:0046274 lignin catabolic process
GO:0098869 cellular oxidant detoxification

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1qpa, PDBe:1qpa, PDBj:1qpa
PDBsum1qpa
PubMed10024453
UniProtP11542|LIG4_PHACH Ligninase H2 (Gene Name=GLG4)

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