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Related entries of code: 4ruu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4edeRCSB PDB    PDBbind133aa, >4EDE_1|Chains... *
4eejRCSB PDB    PDBbind133aa, >4EEJ_1|Chains... at 98%
4efgRCSB PDB    PDBbind133aa, >4EFG_1|Chains... at 99%
4exzRCSB PDB    PDBbind133aa, >4EXZ_1|Chains... at 94%
4gkcRCSB PDB    PDBbind133aa, >4GKC_1|Chains... at 98%
6e7mRCSB PDB    PDBbind133aa, >6E7M_1|Chains... at 93%
6e5sRCSB PDB    PDBbind133aa, >6E5S_1|Chains... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2g79RCSB PDB    PDBbindRET
3hx3RCSB PDB    PDBbindRET
3hy5RCSB PDB    PDBbindRET
4cizRCSB PDB    PDBbindRET
4edeRCSB PDB    PDBbindRET
4eejRCSB PDB    PDBbindRET
4efgRCSB PDB    PDBbindRET
4exzRCSB PDB    PDBbindRET
4gkcRCSB PDB    PDBbindRET
4i9rRCSB PDB    PDBbindRET
4i9sRCSB PDB    PDBbindRET
6e7mRCSB PDB    PDBbindRET
6e5sRCSB PDB    PDBbindRET
Entry Information
PDB ID4ruu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRetinol-binding protein 2 hCRBPII(K40L, Q108K mutant)
Ligand NameRET
EC.Number E.C.-.-.-.-
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=29nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Science Vol. 338: pp. 1340-1343
Ligand Properties
Formula C20H30
Molecular Weight 270.452
Exact Mass 270.235
No. of atoms 50
No. of bonds 50
Polar Surface Area 0
LOGP Value 6.99      (Computed with XLOGP3)
6.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 0
No. of Rings: 1
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): P50120  
Entrez Gene IDNCBI Entrez Gene ID: 5948  
ASDInformation of known allosteric effects of PDB entries
 
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