Structure of PDB 6p8v Chain B Binding Site BS02

Receptor Information
>6p8v Chain B (length=302) Species: 749537 (Escherichia coli MS 115-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKPSLDELFERRINFPDFEPQERLARLVGLDEHKDRLSKILGLLVNPYGI
QEWAKKYHPDARAAVDTVLRRPPLVVLAGDVGSGKTELAETIGDAVARQE
DIDITLYPLSLATRGQGRVGEMTQLVSAAFDYTIEAADKLKKARGAVLLL
IDQADALAQSRENAQMHHEDRAGVNAFIRGIDRIANQKLPAAVLMCTNRL
KALDPAVQRRAAEILTFSRPNDEQRHYLLHSKLTGLGLNSTAVEELVRLT
GPRDPNSPGFTFSDITQRLIPSIILAAYPYNAVSVHSALQVVNKMTPTPA
FI
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 chain6p8v Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6p8v HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		L29 V30 L32 G84 S85 G86 K87 T88 E89 F268
Binding residue
(residue number reindexed from 1)		L27 V28 L30 G82 S83 G84 K85 T86 E87 F262
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0051607 defense response to virus
Cellular Component
GO:0015630 microtubule cytoskeleton

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6p8v, PDBe:6p8v, PDBj:6p8v
PDBsum6p8v
PubMed31932165
UniProtD7Y2H4|CAP6_ECOM1 CD-NTase-associated protein 6 (Gene Name=cap6)

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