Structure of PDB 6iqw Chain A Binding Site BS01

Receptor Information
>6iqw Chain A (length=771) Species: 523850 (Thermococcus onnurineus NA1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEIDELTALGGLLHDIGKPVQRAGLYSGDHSTQGARFLRDLAENTGRAEY
ELLSLFSEFHHKGHMKNDELMIRRIKELSPERFGLTMEDVLNALWIVYEA
DNLASGPQASRPLYSVFNPGKAYPWAELDFEKELPVPGDVFSIRSQDYRE
LVKRLWEELSKAKLRSDRLLPVLEKYLTFVSSVTSEGNIISLYDHMRMTS
AIALAMLRAGCTAEDVRSGRCRKEKRFLLIEGDFSGIQDFIYRVSGKGTL
KYLRARSAYLELIGWDVVLEILSRLGLTRANVVFNAGGHFMIIAQNTPDA
VKELEEIRAKAVEWLYREFESDLYLAIEWEPVSGREFGREGGKNLFAEAR
KRLKHKLTVRKLKRFGEIKGLFEHGHTERLAECPVCGRELPEGKLEPSAS
DPETKVCPTCNRLVSLGGNLPKLLGFGRTAKNDAGVLVEGPFSGFVPYLQ
GGRPVGEQILVKNTLNPGEIPESAQFVPYFVADYFKKDPKGGVATFEELS
MASTGTRRLGVMKGDVDRLGEFFSSMDSPSKLATASRFMDYFFKGYIGAI
IEGKFGYIIGDVPSLRDWPEEPDIVVVYAGGDDFFIVGAWDQIFELAFRV
RRAFNAYTGGKLTLSVGLGYFDERTPIYRMADVVSERLDTAKDEGRNRVF
VVGRSRPLDGKHKLSYEWNHYEELWRTYAPRIYAGNGRLKGKLESKKGLL
WKLLEIRELYVRDPNDVRWAYLTAYLLGRHGLSDLFPELVGIDTKAVERK
EPQPVYWVDGVLKIVLMAVRR
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 chain6iqw 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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PDB6iqw Cryo-EM structure of Type III-A CRISPR effector complex.
Resolution3.35 Å
Binding residue
(original residue number in PDB)		F290 H295 D521 R524 L525 G526 F529 S542 G587 D588 R652
Binding residue
(residue number reindexed from 1)		F284 H289 D515 R518 L519 G520 F523 S536 G581 D582 R646
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.-
3.1.-.-
Gene Ontology
Molecular Function
GO:0004519 endonuclease activity
GO:0004527 exonuclease activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016740 transferase activity
GO:0042802 identical protein binding
Biological Process
GO:0051607 defense response to virus

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6iqw, PDBe:6iqw, PDBj:6iqw
PDBsum6iqw
PubMed30459428
UniProtB6YWB8|CAS10_THEON CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A) (Gene Name=csm1)

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