Structure of PDB 8k7a Chain A Binding Site BS01

Receptor Information
>8k7a Chain A (length=563) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSFIPILVKQRGLIANIVLATLLVTVINIVGSYYLQSIIDTYVPDQMRST
LGIISIGLVIVYILQQILSYAQEYLLLVLGQRLSIDVILSYIKHVFHLPM
SFFATRRTGEIVSRFTDANSIIDALASTILSIFLDVSTVVIISLVLFSQN
TNLFFMTLLALPIYTVIIFAFMKPFEKMNRDTMEANAVLSSSIIEDINGI
ETIKSLTSESQRYQKIDKEFVDYLKKSFTYSRAESQQKALKKVAHLLLNV
GILWMGAVLVMDGKMSLGQLITYNTLLVYFTNPLENIINLQTKLQTAQVA
NNRLNEVYLVASEFEEKKTVEDLSLMKGDMTFKQVHYKYGYGRDVLSDIN
LTVPQGSKVAFVGISGSGKTTLAKMMVNFYDPSQGEISLGGVNLNQIDKK
ALRQYINYLPQQPYVFNGTILENLLLGAKEGTTQEDILRAVELAEIREDI
ERMPLNYQTELTSDGAGISGGQRQRIALARALLTDAPVIILDQATSSLDI
LTEKRIVDNLIALDKTLIFIAHRLTIAERTEKVVVLDQGKIVEEGKHADL
LAQGGFYAHLVNS
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain8k7a Chain A Residue 801 [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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PDB8k7a Nucleotide-bound ComA E647Q with Mg2+
Resolution4.2 Å
Binding residue
(original residue number in PDB)		Y493 G522 K523 T524 T525
Binding residue
(residue number reindexed from 1)		Y339 G368 K369 T370 T371
Annotation score5
Enzymatic activity
Enzyme Commision number 3.4.22.-
7.4.2.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008233 peptidase activity
GO:0008234 cysteine-type peptidase activity
GO:0016887 ATP hydrolysis activity
GO:0034040 ATPase-coupled lipid transmembrane transporter activity
GO:0043214 ABC-type bacteriocin transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006508 proteolysis
GO:0006869 lipid transport
GO:0030420 establishment of competence for transformation
GO:0043213 bacteriocin transport
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8k7a, PDBe:8k7a, PDBj:8k7a
PDBsum8k7a
PubMed37935699
UniProtP59653|COMA_STRR6 Transport/processing ATP-binding protein ComA (Gene Name=comA)

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