Structure of PDB 8e1u Chain H Binding Site BS01

Receptor Information
>8e1u Chain H (length=1122) Species: 1752 (Propionibacterium freudenreichii subsp. shermanii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSVVERRQINAAINLRLSLLGLPHPPDAILVEPLLARQRELSRRLKDRLS
APDLRIQRFLDDYLADCDEHPQLPRTTLVLDEPGLARGLSLPVDGDEFHS
DIVASYRLVNGVLHNPKHDRRTTAGVFHISTGGLPIPQDKVEVDKNVYAR
ILARAFQAPDEELALPYTANLPEQAHCWASLLMRPTVLPAVPGRTTEKSY
EVHFIVPGGLMCNLDFVEGIFGNAGDPYLPENDASLDPDSWTGHTGCVIL
APHLTTMTKKSLGMPHYDDATERQRRDGQCWRHEDDLYNDGKAFKVCARD
ERGVIVTVIADNYFGYCKKEVKTQISYSANLLGGAEEEHSGGAEVYPAWN
LNQDFTDRTPDDFTLADVISTNRELLDVRPEGYAVYKPEPNIVFIPEHSH
YSMRTQTISWTAHGAEQTIKLLAGKHYLSPDGYRIHAKHREMDATQWHLI
GTSSRAVTCHKPATVSGGGKSEISKSISDAFVFGNAFSHDIDSAMDQVQA
LFDTDFTNRFADASRNGTDHRPVLSIDRSLGSVIKLLTPSIQYNDEYNAF
LEGIEPDVKELAFTVKRYYLPEWGEDWRSHFTVGIMNGRHGNMVRLDGKK
IITNMLRVGFREDGSWRLFTLRPDYSPAVKVQTEDDITASTVTPPWEDAE
GLPRKYVTNCEHLLFQRPDDAIHRGYDKQAEFDLASGTDTFISNFEPLTH
EQARDLLTDVQAYSEFTKPVRKLIERVAAMPDDQSPEFWVCSDDPRHLPD
GGRSKNPRYLQVRPTDSNPELTTVADVAGKLARKLPLAGHAPQPIDVVAA
GRRNNPPEDKVPALCAYNPLHYMELPELFMEYISSMTGKSPSTTGAGSEG
ALTKGPFNALPAVYDLNAAVLSYALTDYDGWLSSAGYIGPNARVDHDISM
LIPELFSHMGPNDRNTKRLISEGYLEKMQDFDFDGHRVLASRLGYRINDR
FVTHYFGRIFLHPDVVFSEEMLRPELQDEKIFADSIDVIVKTHQRVAQMY
FDDGTVSLACPPIRALLEIMAHGASAEGWTLDSPEFRKLFERESVLASDW
YAARLDAKQAEDVKQTEEGVERLKEYIESGSVSARLHLADRLRELEAQLT
YERSPEYRRSLVGTLGRQPRFV
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 H 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)		K319 H339 D636
Annotation score4
External links