Structure of PDB 1h1m Chain A Binding Site BS01

Receptor Information
>1h1m Chain A (length=344) Species: 34381 (Aspergillus japonicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSLIVEDAPDHVRPYVIRHYSHARAVTVDTQLYRFYVTGPSSGYAFTLMG
TNAPHSDALGVLPHIHQKHYENFYCNKGSFQLWAQSGNETQQTRVLSSGD
YGSVPRNVTHTFQIQDPDTEMTGVIVPGGFEDLFYYLGTNATDTTHTPYI
PSSSTTGPDSSTISTLQSFDVYAELSFTPRTDTVNGTAPANTVWHTGANA
LASTAGDPYFIANGWGPKYLNSQYGYQIVAPFVTATQAQDTNYTLSTISM
STTPSTVTVPTWSFPGACAFQVQEGRVVVQIGDYAATELGSGDVAFIPGG
VEFKYYSEAYFSKVLFVSSGSDGLDQNLVNGGEEWSSVSFPADW
Ligand information
Ligand IDKMP
InChIInChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
InChIKeyIYRMWMYZSQPJKC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
CACTVS 3.341Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
ACDLabs 10.04O=C1c3c(OC(=C1O)c2ccc(O)cc2)cc(O)cc3O
FormulaC15 H10 O6
Name3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE;
KAEMPHEROL
ChEMBLCHEMBL150
DrugBankDB01852
ZINCZINC000003869768
PDB chain1h1m Chain A Residue 1360 [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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PDB1h1m Anaerobic Enzyme.Substrate Structures Provide Insight Into the Reaction Mechanism of the Copper- Dependent Quercetin 2,3-Dioxygenase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		M51 V63 H66 H68 E73 F75 M123 L135 F136 P164 V177
Binding residue
(residue number reindexed from 1)		M49 V61 H64 H66 E71 F73 M121 L133 F134 P158 V171
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) H66 H68 E73 H112
Catalytic site (residue number reindexed from 1) H64 H66 E71 H110
Enzyme Commision number 1.13.11.24: quercetin 2,3-dioxygenase.
Gene Ontology
Molecular Function
GO:0008127 quercetin 2,3-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:1h1m, PDBe:1h1m, PDBj:1h1m
PDBsum1h1m
PubMed12486225
UniProtQ7SIC2|QDOI_ASPJA Quercetin 2,3-dioxygenase

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