Structure of PDB 8e1u Chain A Binding Site BS01

Receptor Information
>8e1u Chain A (length=1126) Species: 1752 (Propionibacterium freudenreichii subsp. shermanii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSVVERRQINAAINLRLSLLGLPHPDSDAILVEPLLARQRELSRRLKDRL
SAPDLRIQRFLDDYLADCDEHPQLPRTTLVLDEPGLARGLSLPVDGDEFH
SDIVASYRLVNGVLHNPKHDRRTTAGVFHISTGGLPIPQDKVEVDKNVYA
RILARAFQAPDEELALPYTANLPEQAHCWASLLMRPTVLPAVPGRTTEKS
YEVHFIVPGGLMCNLDFVEGIFGNAGDPYLPENDASLDPDSWTGHTGCVI
LAPHLTTMTKKSLGMPHYDDATERQRRDGQCWRHEDDLYNDGKAFKVCAR
DERGVIVTVIADNYFGYCKKEVKTQISYSANLLGGAEEEHSGGAEVYPAW
NLNQDFTDRTPDDFTLADVISTNRELLDVRPEGYAVYKPEPNIVFIPEHS
HYSMRTQTISWTAHGAEQTIKLLAGKHYLSPDGYRIHAKHREMDATQWHL
IGTSSRAVTCHKPATVSGGGKSEISKSISDAFVFGNAFSHDIDSAMDQVQ
ALFDTDFTNRFADASRNGTDHRPVLSIDRSLGSVIKLLTPSIQYNDEYNA
FLEGIEPDVKELAFTVKRYYLPEWGEDWRSHFTVGIMNGRHGNMVRLDGK
KIITNMLRVGFREDGSWRLFTLRPDYSPAVKVQTEDDITASTVTPPWEDA
EGLPRKYVTNCEHLLFQRPDDAIHRGYDKQAEFDLASGTDTFISNFEPLT
HEQARDLLTDVQAYSEFTKPVRKLIERVAAMPDDQSPEFWVCSDDPRHLP
DGGRSKNPRYLQVRPTDSNPELTTVADVAGKLARKLPLAGHAPQPIDVVA
AGRRNNPPEDKVPALCAYNPLHYMELPELFMEYISSMTGKSPSTTGAGSE
GALTKGPFNALPAVYDLNAAVLSYALTDYDGWLSSAGYIGPNARVDHDIS
MLIPELFSHMGPNDRNTKRLISEGYLEKMQDFDFDGHRVLASRLGYRIND
RFVTHYFGRIFLHPDVVFSEEMLRPELQDEKIFADSIDVIVKTHQRVAQM
YFDDGTVSLACPPIRALLEIMAHGASAEGWTLDSPEFRKLFERESVLASD
WYAARLDAKQAEDVKQTEEGVERLKEYIERPDSGSVSARLHLADRLRELE
AQLTYERSPEYRRSLVGTLGRQPRFV
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8e1u Chain A Residue 1201 [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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PDB8e1u Biochemical, structural, and kinetic characterization of PP i -dependent phosphoenolpyruvate carboxykinase from Propionibacterium freudenreichii.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		K325 H345 D642
Binding residue
(residue number reindexed from 1)		K320 H340 D637
Annotation score4
External links