Structure of PDB 6k4r Chain A Binding Site BS01

Receptor Information
>6k4r Chain A (length=731) 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]
VKQYYFARRGETSTHDTSLPPPVKVLSGRSIPLKEIPFEATRNELVQIYL
TSIDKLIKSNKLNSIPSQQIASHYLFLRSLANSETDGIKKNQILSLAKPL
GTYLASKEPHVWKMINELIEKSEYPIIHYLKNNRAHSNFMLALIHEYHKE
PLTKNQSAFVQKFRDSSVFLFPNPIYTAWLAHSYDEDSSFNPMFRERLST
NFYHSTLTDNLLLRTEPKEVTLSSEHHYKKEKGPIDSSFRYQMSSDRLLR
IQGRTLLFSTPQNDVVAVKVQKKGEPKSTLEEEFEMADYLLKHQRRLDVH
SKLPQPLGQYSVKKSEILEISRGSLTLIDDSKDLEVYVYKAPQSYFTYLH
DKNQDLEDLTASVKTNVHDLFVLLREGIVFPQLADIFHKGRYQALVQLLN
VLQFQLGRIDKWQKAVEYVNLRSSGLADLGDSLPITSLFTSSDFTKHYFS
ELLTGGYHPTFFDKSSGTANSLFTGKRRLFGNYLYLNTIAEYLLVIQLTL
GSYGDKVTRDMDKPKKEAVWRELANVMFTSCAEAIHIMTGIPQSRALTLL
KQRANIEKHFRQTQFWMTPDYSKLDEDTLQMEQYSIYSGEPEYEFTDKLV
SGVGLSVDGVHQDLGGYNRESPLRELEKLLYATVTLIEGTMQLDKEFFKQ
LEQVEKILSGEIKTDANSCFEAVAQLLDLARPGCHFQKRLVLSYYEEAKL
KYPSAPTDAYDSRFQVVARTNAAITIQRFWR
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 A 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 N534 R536 D542 D545
Binding residue
(residue number reindexed from 1)		R254 K269 N420 R422 D428 D431
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=5.84,Kd=1.45uM
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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