Browse entries in the PDBbind-CN Database

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Related entries of code: 4urx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2lwiRCSB PDB    PDBbind172aa, >2LWI_1|Chain... at 97%
4uruRCSB PDB    PDBbind185aa, >4URU_1|Chain... *
4urvRCSB PDB    PDBbind185aa, >4URV_1|Chain... at 100%
4urwRCSB PDB    PDBbind185aa, >4URW_1|Chain... at 100%
4uryRCSB PDB    PDBbind185aa, >4URY_1|Chain... at 100%
4urzRCSB PDB    PDBbind185aa, >4URZ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4urx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGTPASE H-Ras and SOS complex
Ligand NameHXY
EC.Number E.C.-.-.-.-
Resolution 2.49(Å)
Affinity (Kd/Ki/IC50)Kd=1.3mM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 2265-2274
Ligand Properties
Formula C11H13BrN
Molecular Weight 239.132
Exact Mass 238.023
No. of atoms 26
No. of bonds 27
Polar Surface Area 4.44
LOGP Value 2.68      (Computed with XLOGP3)
2.97      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 1
No. of Rings: 2
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q07889  P01112  
Entrez Gene IDNCBI Entrez Gene ID: 6654  3265  
ASDInformation of known allosteric effects of PDB entries

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