Structure of PDB 5hrm Chain D Binding Site BS01

Receptor Information
>5hrm Chain D (length=495) Species: 453246 (Sphingobium sp. TCM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVVIGPGDRPETGLQGQTTIEDVVSGRSKLPYHAGVRLVGRTDIWNRGGN
LQLSWVDQCAYVSTFKQAGPITANSRSALFLREPAGVAVIDVRDPRAPKP
VRLLRDRGSIDAVETMHAIAAPGRKVLVAGAYSGGIAGRGEEDAAWLSIY
DASNCLNPKLQSEFKWPANIHMVTISPNGRRVYGTEVVPGLGSGKGGLHV
LDISDMKRPRYLGRFGVTRPNGLTAGFTPHEVSISHDERRIYAAVLASET
GDVPVGASILASDGDVPVENGSVYILDNSDIVDGRSQPKMRLVGEAKQGG
FHSVVPASINGVPHLVGAAELGACPGTWPRIINIADEKNPKIVGEFKLQM
NIKENCDAIRFTPRKEDPYASFIPIPDITARLGAVGSHFNDVDDARNTRL
GLFPFFAGGVRIVDLRDPTKPVEVGYYKPGANPDTPLSGNGLNWTGLNDQ
VTDGCMSHVRYVPESGHIWFACVTTGFHVVELNPDLRARLGFPTV
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 chain5hrm Chain D Residue 601 [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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PDB5hrm Structure of a Novel Phosphotriesterase from Sphingobium sp. TCM1: A Familiar Binuclear Metal Center Embedded in a Seven-Bladed beta-Propeller Protein Fold.
Resolution2.051 Å
Binding residue
(original residue number in PDB)		E201 H317 H389 E407 H475
Binding residue
(residue number reindexed from 1)		E114 H230 H302 E320 H388
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links