Structure of PDB 6k31 Chain B Binding Site BS01

Receptor Information
>6k31 Chain B (length=1108) Species: 1659 (Actinomyces israelii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SANSAIALRLELLGAPVPRLVAPILARQRELTRRLANRPCAADRRIQAFL
DSYLDGAAAQPKLPGATLVLDQPGLARALSLPVDATSFTSDYVESYRVLS
GVLHNPRNDRRTTAGVFHVAEGGLPIPDDKKAVPRDVFARVLAAAVDAPD
DLMTLPWASTQADPARCFVSLLLRPVVVPEVPGFSAERSMEIRFIAPGGL
VSNLDFVEGIFGNGGDPYLPENDASLAPESWTGHTGCVILAPHLTRLTKK
ELGLPAWEEATERQRRDGMCWRGADELYNDGKAFKLVARDERGVIVTIIA
DNYYGYCKKEVKTQISYSANLFGCVEEEHSGGALAFPRYNLGQEYTDVHT
PAGATVERVLARNPGRFEARADGSAVLLDDDGRPDEGIVLVPAGAHFSMR
TQTVTWDRADGREASIPLLADRVYIAPGGYRVHAKHREGDATQWHLVGTA
PWATQAHKPATVSGGGKSEISKSLLDAFVFGEAYVGDVDADLDAVQKILD
PILSERRSLGSVIKLLTPSSMYTEEYNAFLESIPAHIKELIFTVKRYYQP
GWGADWRSHFSVGIINGRKGNSLRLDGEVIKVNMLRVGFEDDGAWRLLSL
RPDFSPAAKVQTEDDITSSIVAPGGLESTAGSSVSRKFVTNCESLLFQRP
DDAIVRGYDKQTERDMSGTGLFISNYQPLTPADARAMVADAPGLSRFTEP
MQELVRRAAAIPEAADPREETYWTSTANPRLVGGAPTRNPRYLQVRPDIA
NPRDVALADLSIHLYRDAPLAAPARHGVDVVAAGRRNNPPEPGVPALCAY
NPLHYMELPELFMEFISSMTGKSPSTTGAGSEGALTKSPFNALPPVYDLN
AALLSYALGGYDGWLSSAGYIGPKVKVAHDISLLVPEIFSRMTPQERDAR
ALIEAGYLERLEDFDHEGRRIEASRLGYRMNAAFATAYFGRIFLHPDVVF
TEEMLRPELQDPAIFADSVEVIVATHRAVAKHYVDDGSIQWAVPPLKALL
EIMYSGRSEEGWTLSSPELRALFERENILASDWYAERVDAKVERDRKQAE
SAIAALTRFTTTQGNEEVTERLDIEGRLASARAWLDEVTSPAYRAHLVGT
LGLQPSLA
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain6k31 Chain B 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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PDB6k31 Structural comparisons of phosphoenolpyruvate carboxykinases reveal the evolutionary trajectories of these phosphodiester energy conversion enzymes.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		K332 H352 D656
Binding residue
(residue number reindexed from 1)		K309 H329 D615
Annotation score3
External links