Browse entries in the PDBbind-CN Database

Display Options: Structure:  

Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 4epy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1cluRCSB PDB    PDBbind166aa, >1CLU:A|PDBID|CHAIN|... at 92%
1d8eRCSB PDB    PDBbind11aa, >1D8E:P|PDBID|CHAIN|... at 100%
1he8RCSB PDB    PDBbind166aa, >1HE8:B|PDBID|CHAIN|... at 92%
1nvuRCSB PDB    PDBbind166aa, >1NVU:R|PDBID|CHAIN|... at 92%
1wq1RCSB PDB    PDBbind166aa, >1WQ1:R|PDBID|CHAIN|... at 92%
4dstRCSB PDB    PDBbind189aa, >4DST:A|PDBID|CHAIN|... *
4dsuRCSB PDB    PDBbind189aa, >4DSU:A|PDBID|CHAIN|... at 100%
4k81RCSB PDB    PDBbind171aa, >4K81:H|PDBID|CHAIN|... at 90%
4nyiRCSB PDB    PDBbind167aa, >4NYI:R|PDBID|CHAIN|... at 92%
4nyjRCSB PDB    PDBbind166aa, >4NYJ:R|PDBID|CHAIN|... at 92%
4nymRCSB PDB    PDBbind166aa, >4NYM:R|PDBID|CHAIN|... at 92%
5kykRCSB PDB    PDBbind169aa, >5KYK:C|PDBID|CHAIN|... at 98%
6b0vRCSB PDB    PDBbind170aa, >6B0V:B|PDBID|CHAIN|... at 97%
6b0yRCSB PDB    PDBbind170aa, >6B0Y:B|PDBID|CHAIN|... at 97%
6d55RCSB PDB    PDBbind167aa, >6D55:C|PDBID|CHAIN|... at 92%
6d56RCSB PDB    PDBbind167aa, >6D56:C|PDBID|CHAIN|... at 92%
6d59RCSB PDB    PDBbind167aa, >6D59:C|PDBID|CHAIN|... at 92%
6d5eRCSB PDB    PDBbind167aa, >6D5E:C|PDBID|CHAIN|... at 92%
6d5gRCSB PDB    PDBbind167aa, >6D5G:C|PDBID|CHAIN|... at 92%
6d5hRCSB PDB    PDBbind167aa, >6D5H:C|PDBID|CHAIN|... at 92%
6d5jRCSB PDB    PDBbind167aa, >6D5J:C|PDBID|CHAIN|... at 92%
6fa2RCSB PDB    PDBbind170aa, >6FA2:F|PDBID|CHAIN|... at 97%
6fa3RCSB PDB    PDBbind172aa, >6FA3:F|PDBID|CHAIN|... at 96%
6fa4RCSB PDB    PDBbind173aa, >6FA4:F|PDBID|CHAIN|... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4epy
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameGTPase KRas
Ligand Name0QY
EC.Number E.C.
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Kd=340uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Angew.Chem.Int.Ed.Engl. Vol. 51: pp. 6140-6143
Ligand Properties
Formula C21H24N5O
Molecular Weight 362.448
Exact Mass 362.198
No. of atoms 51
No. of bonds 55
Polar Surface Area 90.18
LOGP Value 2.32      (Computed with XLOGP3)
3.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
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): P01116  
Entrez Gene IDNCBI Entrez Gene ID: 3845  
ASDInformation of known allosteric effects of PDB entries

This site has been visited times since Nov 2007.

Address: 826 Zhangheng Road, Shanghai 201203, People's Republic of China      ICP NO: Shanghai-05005485-2
Group Leader:      Tel: +86-21-54925128      Webmaster:
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China