Structure of PDB 4us2 Chain R Binding Site BS01

Receptor Information
>4us2 Chain R (length=167) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGE
TCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQ
IKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTR
QGVEDAFYTLVREIRQH
Ligand information
Ligand IDL7S
InChIInChI=1S/C13H14N2O3/c1-2-15-11(16)7-10(13(15)18)8-4-3-5-9(6-8)12(14)17/h3-6,10H,2,7H2,1H3,(H2,14,17)/t10-/m1/s1
InChIKeyXGUUYQHDALENIF-SNVBAGLBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCN1C(=O)CC(C1=O)c2cccc(c2)C(=O)N
OpenEye OEToolkits 1.7.6CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N
CACTVS 3.385CCN1C(=O)C[CH](C1=O)c2cccc(c2)C(N)=O
CACTVS 3.385CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(N)=O
ACDLabs 12.01O=C2N(C(=O)CC2c1cccc(C(=O)N)c1)CC
FormulaC13 H14 N2 O3
Name3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
ChEMBL
DrugBank
ZINCZINC000263621215
PDB chain4us2 Chain R Residue 1167 [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]
PDB4us2 Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
Resolution2.48 Å
Binding residue
(original residue number in PDB)		G13 V14 G15 N85 C118 D119
Binding residue
(residue number reindexed from 1)		G14 V15 G16 N86 C119 D120
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0007165 signal transduction
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4us2, PDBe:4us2, PDBj:4us2
PDBsum4us2
PubMed25695162
UniProtP01112|RASH_HUMAN GTPase HRas (Gene Name=HRAS)

[Back to BioLiP]