Structure of PDB 8scb Chain ii Binding Site BS05

Receptor Information
>8scb Chain ii (length=416) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAADRNVEIWKIKKLIKSLEAARGNGTSMISLIIPPKDQISRVAKMLADE
FGTASNIKSRVNRLSVLGAITSVQQRLKLYNKVPPNGLVVYCGTIVTEEG
KEKKVNIDFEPFKPINTSLYLCDNKFHTEALTALLSDDSKFGFIVIDGSG
ALFGTLQGNTREVLHKFTVDLPKKHGRAAQSALRFARLRMEKRHNYVRKV
AETAVQLFISGDKVNVAGLVLAGSADFKTELSQSDMFDQRLQSKVLKLVD
ISYGGENGFNQAIELSTEVLSNVKFIQEKKLIGRYFDEISQDTGKYCFGV
EDTLKALEMGAVEILIVYENLDIMRYVLHCQGTEEEKILYLTPEQEKDKS
HFTDKETGQEHELIESMPLLEWFANNYKKFGATLEIVTDKSQEGSQFVKG
FGGIGGILRYRVDFQG
Ligand information
Ligand IDZVM
InChIInChI=1S/C22H21N3O2/c1-24-17-13-6-5-12-16(17)19(26)18-21(24)23-20(14-8-7-9-14)25(22(18)27)15-10-3-2-4-11-15/h2-6,10-14,18,20H,7-9H2,1H3/t18?,20-/m0/s1
InChIKeyHIWASGKNWCATJA-IJHRGXPZSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1C2C(=O)c3ccccc3N(C)C2=NC(C2CCC2)N1c1ccccc1
OpenEye OEToolkits 2.0.7CN1c2ccccc2C(=O)C3C1=NC(N(C3=O)c4ccccc4)C5CCC5
CACTVS 3.385CN1c2ccccc2C(=O)[CH]3C(=O)N([CH](N=C13)C4CCC4)c5ccccc5
CACTVS 3.385CN1c2ccccc2C(=O)[C@H]3C(=O)N([C@H](N=C13)C4CCC4)c5ccccc5
FormulaC22 H21 N3 O2
Name(2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione
ChEMBL
DrugBank
ZINC
PDB chain8scb Chain ii Residue 501 [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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PDB8scb Structure and consequences of eRF1 glued to the ribosomal decoding center
Resolution2.5 Å
Binding residue
(original residue number in PDB)		L37 R47 M51 E55 S123 L124 Y125
Binding residue
(residue number reindexed from 1)		L32 R42 M46 E50 S118 L119 Y120
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003747 translation release factor activity
GO:0004045 aminoacyl-tRNA hydrolase activity
GO:0005515 protein binding
GO:0008079 translation termination factor activity
GO:0016149 translation release factor activity, codon specific
GO:0043022 ribosome binding
GO:1990825 sequence-specific mRNA binding
Biological Process
GO:0000184 nuclear-transcribed mRNA catabolic process, nonsense-mediated decay
GO:0002184 cytoplasmic translational termination
GO:0006412 translation
GO:0006415 translational termination
GO:0006449 regulation of translational termination
GO:0006479 protein methylation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0018444 translation release factor complex
GO:0022626 cytosolic ribosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8scb, PDBe:8scb, PDBj:8scb
PDBsum8scb
PubMed38172604
UniProtP62495|ERF1_HUMAN Eukaryotic peptide chain release factor subunit 1 (Gene Name=ETF1)

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