Structure of PDB 5dzt Chain A Binding Site BS02

Receptor Information
>5dzt Chain A (length=886) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLINVLSINERCFLLKQSGNEKYDIKNLQAWKERKSVLKQDDLDYLIKYK
YESLDNFGLGITPIENFPDKEVAIQYIKDQSWYIFFESILDSYNDSEEQL
LEVDASYPFRYFLQYARLFLLDLNSELNICTKEFIINLLEILTQELIHLT
SKTLVLDLHRFIYYLKKRFNSKKDIIAFYTCYPELMRITVVRMRYFLDNT
KQMLIRVTEDLPSIQNCFNIQSSELNSISESQGDSHSRGKTVSTLTFSDG
KKIVYKPKINSENKLRDFFEFLNKELEADIYIVKKVTRNTYFYEEYIDNI
EINNIEEVKKYYERYGKLIGIAFLFNVTDLHYENIIAHGEYPVIIDNETF
FQQNIPIEFGNSATVDAKYKYLDSIMVTGLVPKNTPIMNNEKISFISYEK
YIVTGMKSILMKAKDSKKKILAYINNNLQNLIVRNVIRPTQRYADMLEFS
YHPNCFSNAIEREKVLHNMWAYPYKNKKVVHYEFSDLIDGDIPIFYNNIS
KTSLIASDGCLVEDFYQESALNRCLNKINDLCDEDISIQTVWLEIALNIY
NPYKYINDLKNQNSNKYIYTGLELNGKIIQACQKIEKKIFKRAIFNKKTN
TVNWIDIKLDQDWNVGILNNNMYDGLPGIFIFYVALKYITKNHKYDYVIE
CIKNSIYTIPSEDILSAFFGKGSLIYPLLVDYRLNNDINSLNVAVEIADM
DWIHGHNSIIKVLLLLSEITEDEKYRKFSLEIFEKLSEEPYFNFRGFGHG
IYSYVHLLSKFNRIDKANSLLHKIKNNSWCKGTVGELLATDINKTIEYKN
KDCLCHGNAGTLEGLIQLAKKDPETYQYKKNKLISYMLKYFEKNNTLKVA
GSEYLESLGFFVGISGVGYELLRNLDSEIPNALLFE
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 chain5dzt Chain A Residue 1002 [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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PDB5dzt The enterococcal cytolysin synthetase has an unanticipated lipid kinase fold.
Resolution2.2 Å
Binding residue
(original residue number in PDB)
Q250 V272 K274 E312 E313 Y314 I315 D364
Binding residue
(residue number reindexed from 1)
Q232 V254 K256 E294 E295 Y296 I297 D346
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0031179 peptide modification

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:5dzt, PDBe:5dzt, PDBj:5dzt
PDBsum5dzt
PubMed26226635
UniProtQ8KUA3

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