Structure of PDB 6s8b Chain K Binding Site BS04

Receptor Information
>6s8b Chain K (length=1009) Species: 930945 (Sulfolobus islandicus REY15A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FLDYKIIALLHDPPNKAWVITGRAAKYIINQLFGKNYSEKVDNADKLASS
IDRYLGSIVYKERSLFENRSIFLKNILLSNIQRDIGNLFPKDKSKLDNLI
LEYKKLLNVINKTNLILKYQLFYLIYELVWIDSKYENTPSDTRNPTHTIF
DHLYATAAMMNWILSLEKEAKGYLLGIDTIGVADFISKGRKTRDLWISSY
LVSALLWYVITWFIEEYGPDVILFPSLRFNQFYAFYLLEKLRKEGVSEDV
IDEIKELITKYIFNGDDLFENLKIPPYPIIPGRITLILPGLIREGEEYKK
VQDDNCFISKVKERYNEGWRKLIEGLRCYSERKREDGFWNLVCRVLKLTE
DLLQTTPLNIRVKQVSVTEDEIFNNNKLRSDSWKIYDNKYRQLVSEFKKS
KLVKVTPESRLKLFELTKFDKLPQIGEKSKRGYEFCTSCGVLPAVVIMPK
EDELEKKLIDLGIARDEKDVRSIKNMISPGERLCPWCLVKRALGAEPRLM
RILLLGDLYSVEKIVNEIVSRDVKIEIPSTSDIASIKTFEEMIEKKNEIC
EDLKEEEVCEKPSESVLSMWQWFNKNYYNGINLTIDPEEYWFSEKRRRYY
FSVFRRHRITFPSPYYALVRADSDYLGDLLEGKLTPYLAGIIDSGDYANI
SEKKEEVNKLLEEYLVNAGSGSIVDYVKTVLKCIRENLNKCSCAEKIYSN
EVAKVMFRVNVEKANVEEEVKNSLEYFETILNEGRIIVTPAWHVSISSAL
NRGLLVELELVNKHKGFVIYAGGDDLLAMLPVDEVLDFIKESRRAFAGFG
TEKLGNMCLENGFVRINNAYYPSLPIVGRSYSVIIAHYADPLFFVINDSY
NLLEEGKEIIRYRVMYNGEYKDAKKDVAIFRYQGLTSVIPLSLKRPIVSS
VSDFNEIASIIDVILELKKRIDEGRISVSLLYDYEKYKHLIVASDEKYLT
EFLVKDWIKRNSLRKHVEFTIDEKLYGVRLTIENYPIKIPNDLISNIVYT
LRIIYGGEK
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain6s8b Chain K Residue 1103 [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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PDB6s8b Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		F252 R311 D650 D652 Y653 G655 L658 D803 K885 K903
Binding residue
(residue number reindexed from 1)		F224 R283 D622 D624 Y625 G627 L630 D775 K857 K875
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6s8b, PDBe:6s8b, PDBj:6s8b
PDBsum6s8b
PubMed32730741
UniProtF0NDX2

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