Browse entries in the PDBbind-CN Database

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Related entries of code: 4ret
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3n23RCSB PDB    PDBbind31aa, >3N23_3|Chains... at 100%
4resRCSB PDB    PDBbind65aa, >4RES_3|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1igjRCSB PDB    PDBbindDGX
3b0wRCSB PDB    PDBbindDGX
Entry Information
PDB ID4ret
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name[Mg] ATPase E2P
Ligand NameDGX
EC.Number E.C.3.6.3.9
Resolution 4(Å)
Affinity (Kd/Ki/IC50)Kd=26nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Proc.Natl.Acad.Sci.USA Vol. 112: pp. 1755-1760
Ligand Properties
Formula C41H64O14
Molecular Weight 780.938
Exact Mass 780.430
No. of atoms 119
No. of bonds 126
Polar Surface Area 203.06
LOGP Value 1.64      (Computed with XLOGP3)
2.22      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 8
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): P05024  P05027  Q58K79  
Entrez Gene IDNCBI Entrez Gene ID: 397481  396898  541593  
ASDInformation of known allosteric effects of PDB entries
 
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