Structure of PDB 6ut3 Chain C Binding Site BS02

Receptor Information
>6ut3 Chain C (length=375) Species: 593117 (Thermococcus gammatolerans EJ3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FRVDMLLNKKGQVILYGPPGTGKTWIARKYVVEETNEKTPGNKWEFITFH
QSYSYEEFIEGFRPRTIRYVVEDGIFKKIALRALVKGLFELKDKIHRLYI
LLTKKEPLSPTEYEEYLRLKRYLWELVGGLPKDKLKNLTPKFYLIIDEIN
RGNISKIFGELITLLEKDKRLGGENQLIVRLPYSGEPFAVPPNLYIIGTM
NTADRSIALLDVALRRRFAFIEVEPRPEFLEKENLKKIREKKLKTEDRKR
LNEKLNELFSKLGNDNYFLKTLLEKINVRITVVKDRDHRIGHSYFLNVET
VEDLHHVWYYEVLPLLMEYFYNDWETIKWVLNEKGKEHGNVFFEKLRLTG
PNGEEAYQLKVLEGDAFIGALKRII
Ligand information
Ligand IDGSP
InChIInChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXOFLBQFBSOEHOG-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
ACDLabs 10.04S=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O13 P3 S
Name5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE
ChEMBLCHEMBL1204628
DrugBankDB01864
ZINCZINC000008217391
PDB chain6ut3 Chain C Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6ut3 Structural asymmetry governs the assembly and GTPase activity of McrBC restriction complexes.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		P217 T219 G220 K221 T222 W223 H501 S502
Binding residue
(residue number reindexed from 1)		P19 T21 G22 K23 T24 W25 H292 S293
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:6ut3, PDBe:6ut3, PDBj:6ut3
PDBsum6ut3
PubMed33219217
UniProtC5A3Z3

[Back to BioLiP]