Structure of PDB 7mis Chain A Binding Site BS04

Receptor Information
>7mis Chain A (length=749) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HVKQYYFARRGETSTHDTSLPPPVKVLSGRSIPLKEIPFEATRNELVQIY
LTSIDKLIKSNKLNSIPSQQIASHYLFLRSLANSETDGIKKNQILSLAKP
LGTYLASKEPHVWKMINELIEKSEYPIIHYLKNNRAHSNFMLALIHEYHK
EPLTKNQSAFVQKFRDSSVFLFPNPIYTAWLAHSYDEDSSFNPMFRERLS
TNFYHSTLTDNLLLRTEPKEVTLSSEHHYKKEKGPIDSSFRYQMSSDRLL
RIQGRTLLFSTPQNDVVAVKVQKKGEPKSTLEEEFEMADYLLKHQRRLDV
HSKLPQPLGQYSVKKSEILEISRGSLDFERFKTLIDDSKDLEVYVYKAPQ
SYFTYLHDKNQDLEDLTASVKTNVHDLFVLLREGIVFPQLADIFHTHFGE
DEREDKGRYQALVQLLNVLQFQLGRIDKWQKAVEYVNLRSSGLADLGDSL
PITSLFTSSDFTKHYFSELLTGGYHPTFFDKSSGTANSLFTGKRRLFGNY
LYLNTIAEYLLVIQLTLGSYGDKVTRDMMDKPKKEAVWRELANVMFTSCA
EAIHIMTGIPQSRALTLLKQRANIEKHFRQTQFWMTPDYSKLDEDTLQME
QYSIYSGEPEYEFTDKLVSGVGLSVDGVHQDLGGYNRESPLRELEKLLYA
TVTLIEGTMQLDKEFFKQLEQVEKILSGEIKTDANSCFEAVAQLLDLARP
GCHFQKRLVLSYYEEAKLKYPSAPTDAYDSRFQVVARTNAAITIQRFWR
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 chain7mis Chain C Residue 2000 [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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PDB7mis Structural and mechanistic basis for protein glutamylation by the kinase fold.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H492 R500 Y506 Q507 V510 Q517 Q519 G521
Binding residue
(residue number reindexed from 1)		H395 R403 Y409 Q410 V413 Q420 Q422 G424
Annotation score4
Enzymatic activity
Enzyme Commision number 6.-.-.-
External links
PDB RCSB:7mis, PDBe:7mis, PDBj:7mis
PDBsum7mis
PubMed34407442
UniProtQ5ZTK6|SIDJ_LEGPH Calmodulin-dependent glutamylase SidJ (Gene Name=sidJ)

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