Structure of PDB 5dzt Chain A Binding Site BS02
Receptor Information
>5dzt Chain A (length=886) Species:
1351
(Enterococcus faecalis) [
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NLINVLSINERCFLLKQSGNEKYDIKNLQAWKERKSVLKQDDLDYLIKYK
YESLDNFGLGITPIENFPDKEVAIQYIKDQSWYIFFESILDSYNDSEEQL
LEVDASYPFRYFLQYARLFLLDLNSELNICTKEFIINLLEILTQELIHLT
SKTLVLDLHRFIYYLKKRFNSKKDIIAFYTCYPELMRITVVRMRYFLDNT
KQMLIRVTEDLPSIQNCFNIQSSELNSISESQGDSHSRGKTVSTLTFSDG
KKIVYKPKINSENKLRDFFEFLNKELEADIYIVKKVTRNTYFYEEYIDNI
EINNIEEVKKYYERYGKLIGIAFLFNVTDLHYENIIAHGEYPVIIDNETF
FQQNIPIEFGNSATVDAKYKYLDSIMVTGLVPKNTPIMNNEKISFISYEK
YIVTGMKSILMKAKDSKKKILAYINNNLQNLIVRNVIRPTQRYADMLEFS
YHPNCFSNAIEREKVLHNMWAYPYKNKKVVHYEFSDLIDGDIPIFYNNIS
KTSLIASDGCLVEDFYQESALNRCLNKINDLCDEDISIQTVWLEIALNIY
NPYKYINDLKNQNSNKYIYTGLELNGKIIQACQKIEKKIFKRAIFNKKTN
TVNWIDIKLDQDWNVGILNNNMYDGLPGIFIFYVALKYITKNHKYDYVIE
CIKNSIYTIPSEDILSAFFGKGSLIYPLLVDYRLNNDINSLNVAVEIADM
DWIHGHNSIIKVLLLLSEITEDEKYRKFSLEIFEKLSEEPYFNFRGFGHG
IYSYVHLLSKFNRIDKANSLLHKIKNNSWCKGTVGELLATDINKTIEYKN
KDCLCHGNAGTLEGLIQLAKKDPETYQYKKNKLISYMLKYFEKNNTLKVA
GSEYLESLGFFVGISGVGYELLRNLDSEIPNALLFE
Ligand information
Ligand ID
AMP
InChI
InChI=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
InChIKey
UDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
Software
SMILES
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01
O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
Formula
C10 H14 N5 O7 P
Name
ADENOSINE MONOPHOSPHATE
ChEMBL
CHEMBL752
DrugBank
DB00131
ZINC
ZINC000003860156
PDB chain
5dzt Chain A Residue 1002 [
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Receptor-Ligand Complex Structure
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PDB
5dzt
The enterococcal cytolysin synthetase has an unanticipated lipid kinase fold.
Resolution
2.2 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 score
4
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
PDBsum
5dzt
PubMed
26226635
UniProt
Q8KUA3
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