Structure of PDB 7v00 Chain F Binding Site BS01

Receptor Information
>7v00 Chain F (length=695) Species: 176279 (Staphylococcus epidermidis RP62A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKKNILMYGSLLHDIGKIIYRSGDHTFSRGTHSKLGHQFLSQFSEFKDN
EVLDNVAYHHYKELAKANLDNDNTAYITYIADNIASLFNFDKYTPLYSVF
NIVNSEKLKQTNGKFKENIQYSSGNYTTLMKDMSHDLEHKLSIKEGTFPS
LLQWTESLWQYVPSSTNKNQLIDISLYDHSRITCAIASCIFDYLNENNIH
NYKDELFSKYENTKSFYQKEAFLLLSMDMSGIQDFIYNISGSKALKSLRS
RSFYLELMLEVIVDQLLERLELARANLLYTGGGHAYLLVSNTDKVKKKIT
QFNNELKKWFMSEFTTDLSLSMAFEKCSGDDLMNTSGNYRTIWRNVSSKL
SDIKAHKYSAEDILKLNHFHSYGDRECKECLRSDIDINDDGLCSICEGII
NISNDLRDKSFFVLSETGKLKMPFNKFISVIDYEEAEMLVQNNNQVRIYS
KNKPYIGIGISTNLWMCDYDYASQNQDMREKGIGSYVDREEGVKRLGVVR
ADIDNLGATFISGIPEKYNSISRTATLSRQLSLFFKYELNHLLENYQITA
IYSGGDDLFLIGAWDDIIEASIYINDKFKEFTLDKLTLSAGVGMFSGKYP
VSKMAFETWDEFKKNILEEKLLVLQQGFSQTDEHGKAFIYKMLALLRNNE
AINIARLAYLLARSKMNEDFTSKIFNWAQNDKDKNQLITALEYYI
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 chain7v00 Chain F 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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PDB7v00 Structures of an active type III-A CRISPR effector complex.
Resolution3.87 Å
Binding residue
(original residue number in PDB)		M259 S260 I262 Q263 I266 S282 K384 Y582
Binding residue
(residue number reindexed from 1)		M229 S230 I232 Q233 I236 S252 K354 Y552
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004519 endonuclease activity
GO:0004527 exonuclease activity
GO:0005524 ATP binding
Biological Process
GO:0051607 defense response to virus

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7v00, PDBe:7v00, PDBj:7v00
PDBsum7v00
PubMed35714601
UniProtQ5HK89

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