Structure of PDB 6k31 Chain A Binding Site BS01

Receptor Information
>6k31 Chain A (length=1109) Species: 1659 (Actinomyces israelii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTNSANSAIALRLELLGAPVPETDRLVAPILARQRELTRRLANRPCAADR
RIQAFLDSYLDGAAAQPKLPGATLVLDQPGLARALSLPVDATSFTSDYVE
SYRVLSGVLHNPRNDRRTTAGVFHVAEGGLPIPDDKKAVPRDVFARVLAA
AVDAPDDLMTLPWASTQADPARCFVSLLLRPVVVPEVPGFSAERSMEIRF
IAPGGLVSNLDFVEGIFGNGGDPYLPENDASLAPESWTGHTGCVILAPHL
TRLTKKELGLPAWEEATERQRRDGMCWRGADELYNDGKAFKLVARDERGV
IVTIIADNYYGYCKKEVKTQISYSANLFGCVEEEHSGGALAFPRYNLGQE
YTDVHTPAGATVERVLARNPGRFEARADGSAVLLDDDGRPDEGIVLVPAG
AHFSMRTQTVTWDRREASIPLLADRVYIAPGGYRVHAKHREGDATQWHLV
GTAPWATQAHKPATVSGGGKSEISKSLLDAFVFGEAYVGDVDADLDAVQK
ILDPILSERRSLGSVIKLLTPSSMYTEEYNAFLESIPAHIKELIFTVKRY
YQPGWGADWRSHFSVGIINGRKGNSLRLDGEVIKVNMLRVGFEDDGAWRL
LSLRPDFSPAAKVQTEDDITSSIVAPGGLESTAGSSVSRKFVTNCESLLF
QRPDDAIVRGYDKQTERDMSGTGLFISNYQPLTPADARAMVADAPGLSRF
TEPMQELVRRAAAIPEAPREETYWTSTANPRLVGGAPTRNPRYLQVRPDI
ANPRDVALADLSIHLYRDAPLAAPARHGVDVVAAGRRNNPPEPGVPALCA
YNPLHYMELPELFMEFISSMTGKSPSTTGAGSEGALTKSPFNALPPVYDL
NAALLSYALGGYDGWLSSAGYIGPKVKVAHDISLLVPEIFSRMTPQERDA
RALIEAGYLERLEDFDHEGRRIEASRLGYRMNAAFATAYFGRIFLHPDVV
FTEEMLRPELQDPAIFADSVEVIVATHRAVAKHYVDDGSIQWAVPPLKAL
LEIMYSGRSEEGWTLSSPELRALFERENILASDWYAERVDAKVERDRKQA
ESAIAALTRFTTTQGNEEVTERLDIEGRLASARAWLDEVTSPAYRAHLVG
TLGLQPSLA
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 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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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)		K315 H335 D618
Annotation score3
External links