Structure of PDB 6o7h Chain A Binding Site BS03

Receptor Information
>6o7h 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]
EIDELTALGGLLHDIGKPVQRAGLYSGDHSTQGARFLRDLAENTGRAEYE
LLSLFSEFHHKGHMKNDELMIRRIKELSPERFGLTMEDVLNALWIVYEAD
NLASGEPQASRPLYSVFNPGKAYPWAELDFEKELPVPGDVFSIRSQDYRE
LVKRLWEELSKAKLRSDRLLPVLEKYLTFVSSVTSEGNIISLYDHMRMTS
AIALAMLRAGCTAEDVRSGRCRKEKRFLLIEGDFSGIQDFIYRVSGKGTL
KYLRARSAYLELIGWDVVLEILSRLGLTRANVVFNAGGHFMIIAQNTPDA
VKELEEIRAKAVEWLYREFESDLYLAIEWEPVSGREFGREGGKNLFAEAR
KRLKHKLTVRKLKRFGEIKGLFEHGHTERLAECPVCGRELPEGKLEPSAS
DPETKVCPTCNRLVSLGGNLPKLLGFGRTAKNDAGVLVEGPFSGFVPYLQ
GGRPVGEQILVKNTLNPGEIPESAQFVPYFVADYFKKDPKGGVATFEELS
MASTGTRRLGVMKGDVDRLGEFFSSMDSPSKLATASRFMDYFFKGYIGAI
IEGKFGYIIGDVPSLRDWPEEPDIVVVYAGGDDFFIVGAWDQIFELAFRV
RRAFNAYTGGKLTLSVGLGYFDERTPIYRMADVVSERLDTAKDEGRNRVF
VVGRSRPLDGKHKLSYEWNHYEELWRTYAPRIYAGNGRLKGKLESKKGLL
WKLLEIRELYVRDPNDVRWAYLTAYLLGRHGLSDLFPELVGIDTKAVERK
EPQPVYWVDGVLKIVLMAVRR
Ligand information
Ligand IDG
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain6o7h Chain H Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6o7h Second Messenger cA4Formation within the Composite Csm1 Palm Pocket of Type III-A CRISPR-Cas Csm Complex and Its Release Path.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D628 R630
Binding residue
(residue number reindexed from 1)		D622 R624
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6o7h, PDBe:6o7h, PDBj:6o7h
PDBsum6o7h
PubMed31326272
UniProtB6YWB8|CAS10_THEON CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A) (Gene Name=csm1)

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