Structure of PDB 7z15 Chain K Binding Site BS01

Receptor Information
>7z15 Chain K (length=224) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MINVQNVSKTFILHQQNGVRLPVLNRASLTVNAGECVVLHGHSGSGKSTL
LRSLYANYLPDEGQIQIKHGDEWVDLVTAPARKVVEIRKTTVGWVSQFLR
VIPRISALEVVMQPLLDTGVPREACAAKAARLLTRLNVPERLWHLAPSTF
SGGEQQRVNIARGFIVDYPILLLDEPTASLDAKNSAAVVELIREAKTRGA
AIVGIFHDEAVRNDVADRLHPMGA
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 chain7z15 Chain K Residue 1000 [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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PDB7z15 Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		F11 L21 V23 S43 G44 G46 K47 S48 T49 Y58
Binding residue
(residue number reindexed from 1)		F11 L21 V23 S43 G44 G46 K47 S48 T49 Y58
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.8.37: alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016740 transferase activity
GO:0016887 ATP hydrolysis activity
GO:0061693 alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase activity
Biological Process
GO:0015716 organic phosphonate transport
GO:0019634 organic phosphonate metabolic process
GO:0019700 organic phosphonate catabolic process
Cellular Component
GO:0061694 alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase complex
GO:1904176 carbon phosphorus lyase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7z15, PDBe:7z15, PDBj:7z15
PDBsum7z15
PubMed36813778
UniProtP16679|PHNL_ECOLI Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnL (Gene Name=phnL)

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