Structure of PDB 6l54 Chain C Binding Site BS01

Receptor Information
>6l54 Chain C (length=308) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKLLPPERMKHSIKLVDDQMNWCDSAIEYLLDQTDVLVVGVLGLQGTGKS
MVMSLLSANTPEEDQRTYVFRAQSAEMKERGGNQTSGIDFFITQERIVFL
DTQPILSPSILDHLINNPEYNLPHTYVEMQSLQIAAFLFTVCHVVIVVQD
WFTDLSLYRFLQTAEMVKPSTPTEYYPHLVFLQNKARREDFCPRKLRQMH
LMIDQLMAHSHLRYKGTLSMLQCNVFPGLPPDFLDSEVNLPLFSLLPGYR
GHPSFQSLVSKLRSQVMSMARPQLSHTILTEKNWFHYAARIWDGVRKSSA
LAEYSRLL
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 chain6l54 Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6l54 Cryo-EM structure of SMG1-SMG8-SMG9 complex.
Resolution3.43 Å
Binding residue
(original residue number in PDB)		Q213 G216 K217 S218 M219 A240 Q241 M245 P272 N372 K373 L428
Binding residue
(residue number reindexed from 1)		Q45 G48 K49 S50 M51 A72 Q73 M77 P104 N184 K185 L240
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0042802 identical protein binding
Biological Process
GO:0000184 nuclear-transcribed mRNA catabolic process, nonsense-mediated decay
GO:0001654 eye development
GO:0001701 in utero embryonic development
GO:0007420 brain development
GO:0007507 heart development
GO:0043066 negative regulation of apoptotic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6l54, PDBe:6l54, PDBj:6l54
PDBsum6l54
PubMed31729466
UniProtQ9H0W8|SMG9_HUMAN Nonsense-mediated mRNA decay factor SMG9 (Gene Name=SMG9)

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