Structure of PDB 6k4r Chain B Binding Site BS01

Receptor Information
>6k4r Chain B (length=738) Species: 272624 (Legionella pneumophila subsp. pneumophila str. Philadelphia 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQYYFARRGETSTHDTSLPPPVKVLSGRSIPLKEIPFEATRNELVQIYLT
SIDKLIKSNKLNSIPSQQIASHYLFLRSLANSETDGIKKNQILSLAKPLG
TYLASKEPHVWKMINELIEKSEYPIIHYLKNNRAHSNFMLALIHEYHKEP
LTKNQSAFVQKFRDSSVFLFPNPIYTAWLAHSYDEDSSFNPMFRERLSTN
FYHSTLTDNLLLRTEPKEVTLSSEHHYKKEKGPIDSSFRYQMSSDRLLRI
QGRTLLFSTPQNDVVAVKVQKKGEPKSTLEEEFEMADYLLKHQRRLDVHS
KLPQPLGQYSVKKSEILEISRGSLDFERFKTLIDDSKDLEVYVYKAPQSY
FTYLHDKNQDLEDLTASVKTNVHDLFVLLREGIVFPQLADIFHTHKGRYQ
ALVQLLNVLQFQLGRIDKWQKAVEYVNLRSSGLADLGDSLPITSLFTSSD
FTKHYFSELLTGGYHPTFFDKSSGTANSLFTGKRRLFGNYLYLNTIAEYL
LVIQLTLGSYGDKVTRDMMDKPKKEAVWRELANVMFTSCAEAIHIMTGIP
QSRALTLLKQRANIEKHFRQTQFWMTPDYSKLDEDTLQMEQYSIYSGEPE
YEFTDKLVSGVGLSVDGVHQDLGGYNRESPLRELEKLLYATVTLIEGTMQ
LDKEFFKQLEQVEKILSGEIKTDANSCFEAVAQLLDLARPGCHFQKRLVL
SYYEEAKLKYPSAPTDAYDSRFQVVARTNAAITIQRFW
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain6k4r Chain B Residue 901 [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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PDB6k4r Regulation of phosphoribosyl ubiquitination by a calmodulin-dependent glutamylase.
Resolution3.109 Å
Binding residue
(original residue number in PDB)		R352 K367 Q486 N534 D542
Binding residue
(residue number reindexed from 1)		R253 K268 Q387 N427 D435
Annotation score4
Enzymatic activity
Enzyme Commision number 6.-.-.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008234 cysteine-type peptidase activity
GO:0016740 transferase activity
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6k4r, PDBe:6k4r, PDBj:6k4r
PDBsum6k4r
PubMed31330531
UniProtQ5ZTK6|SIDJ_LEGPH Calmodulin-dependent glutamylase SidJ (Gene Name=sidJ)

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