Structure of PDB 8ro1 Chain C Binding Site BS02

Receptor Information
>8ro1 Chain C (length=898) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDKKYYATALEVYGEGVETLVQEEDAQPLTEPIVKPVSKKKFQAAERFLP
ETVYKKEYLADLMDCPHIMRNVAIAGHLHHGKTTFLDCLMEQTHPEFYRA
EDADARFTDILFIEKQRGCSIKSQPVSIVAQDSRSKSYLLNIIDTPGHVN
FSDEMTASYRLADGVVVMVDAHEGVMMNTERAIRHAIQERLAVTLCISKI
DRLLLELKLPPADAYFKLRLIIDQVNNILSTFAEEDVPVLSPLNGNVIFS
SGRYNVCFSLLSFSNIYAKQHGDSFNSKEFARRLWGDIYFEKKTRKFVKK
SPSHDAPRTFVQFILEPMYKIFSQVVGDVDTCLPDVMAELGIRLSKEEQK
MNVRPLIALICKRFFGDFSAFVDLVVQNIKSPLENAKTKIEQTYLGPADS
QLAQEMQKCNAEGPLMVHTTKNYPVDDATQFHVFGRVMSGTLEANTDVRV
LGENYSIQDEEDCRRMTVGRLFVRVASYQIEVSRVPAGCWVLIEGIDQPI
VKTATIAELGYEEDVYIFRPLKFNTRSCVKLAVEPINPSELPKMLDGLRK
VNKSYPLLTTRVEESGEHVLLGTGEFYMDCVMHDMRKVFSEIDIKVADPV
VTFNETVIETSTLKCFAETPNKKNKITMMAEPLEKQLDEDIENEVVQIGW
NRRRLGEFFQTKYNWDLLAARSIWAFGPDTTGPNILLDDTLPSEVDKHLL
STVRESLVQGFQWATREGPLCEEPIRQVKFKLLDAAIATEPLYRGGGQMI
PTARRCAYSAFLMATPRLMEPYYTVEVVAPADCVAAVYTVLAKRRGHVTT
DAPMPGSPMYTISAYIPVMDSFGFETDLRIHTQGQAFCMSAFHHWQLVPG
DPLDKSIVIKTLDVQPTPHLAREFMIKTRRRKGLSEDVSVNKFFDDPM
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[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=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain8ro1 Chain C Residue 1101 [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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PDB8ro1 Mechanism for the initiation of spliceosome disassembly.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		L141 H142 H143 K145 T146 T147 D167 C182 S183 K262 D264 R316
Binding residue
(residue number reindexed from 1)		L78 H79 H80 K82 T83 T84 D104 C119 S120 K199 D201 R253
Annotation score4
External links