Structure of PDB 3b59 Chain E Binding Site BS01

Receptor Information
>3b59 Chain E (length=301) Species: 279238 (Novosphingobium aromaticivorans DSM 12444) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSRVTEIRYVGYGVKDFDAEKAFYADVWGLEPVGEDANNAWFKAQGADEH
HVVQLRRADENRIDVIALAADSRSDVDALRASVEAAGCKVASEPAVLATP
GGGYGFRFFSPDGLLFEVSSDVAKGAKRDLARWEGVPVKISHIVLHSPNH
QDMVKFFTDVLGFKVSDWLGDFMCFLRCNSAHHRIAILPGPPCLNHVAYD
MLSVDDMMRGAHRLKVKGIDIGWGPGRHTAGNNTFSYFVTPGGFVTEYTS
ELEEVDFDTHQYKVHVPAPMVMDQWGIGTGGPQTLPHPHANPGLFQTAEA
E
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3b59 Chain E Residue 606 [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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PDB3b59 Crystal structure of the Mn(II)-bound glyoxalase from Novosphingobium aromaticivorans.
Resolution2.53 Å
Binding residue
(original residue number in PDB)		H144 H198 Y239 E249
Binding residue
(residue number reindexed from 1)		H142 H196 Y237 E247
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H144 H185 H198 H230 Y239 E249
Catalytic site (residue number reindexed from 1) H142 H183 H196 H228 Y237 E247
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:3b59, PDBe:3b59, PDBj:3b59
PDBsum3b59
PubMed
UniProtQ2GAG3

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