Browse entries in the PDBbind-CN Database

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Related entries of code: 5q1e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3dctRCSB PDB    PDBbind21aa, >3DCT_2|Chain... *
3feiRCSB PDB    PDBbind13aa, >3FEI_2|Chain... at 100%
3fxvRCSB PDB    PDBbind13aa, >3FXV_2|Chain... at 100%
3g8iRCSB PDB    PDBbind13aa, >3G8I_2|Chain... at 100%
3okhRCSB PDB    PDBbind14aa, >3OKH_2|Chain... at 100%
3okiRCSB PDB    PDBbind14aa, >3OKI_2|Chains... at 100%
3olfRCSB PDB    PDBbind14aa, >3OLF_2|Chains... at 100%
3ommRCSB PDB    PDBbind14aa, >3OMM_2|Chains... at 100%
3oofRCSB PDB    PDBbind14aa, >3OOF_2|Chains... at 100%
3ookRCSB PDB    PDBbind14aa, >3OOK_2|Chains... at 100%
4dk7RCSB PDB    PDBbind12aa, >4DK7_2|Chains... at 100%
4dk8RCSB PDB    PDBbind12aa, >4DK8_2|Chains... at 100%
5q0jRCSB PDB    PDBbind14aa, >5Q0J_2|Chains... at 100%
5q0lRCSB PDB    PDBbind14aa, >5Q0L_2|Chains... at 100%
5q0mRCSB PDB    PDBbind14aa, >5Q0M_2|Chain... at 100%
5q0nRCSB PDB    PDBbind14aa, >5Q0N_2|Chains... at 100%
5q0oRCSB PDB    PDBbind14aa, >5Q0O_2|Chains... at 100%
5q0pRCSB PDB    PDBbind14aa, >5Q0P_2|Chains... at 100%
5q0qRCSB PDB    PDBbind14aa, >5Q0Q_2|Chains... at 100%
5q0rRCSB PDB    PDBbind14aa, >5Q0R_2|Chain... at 100%
5q0sRCSB PDB    PDBbind14aa, >5Q0S_2|Chains... at 100%
5q0tRCSB PDB    PDBbind14aa, >5Q0T_2|Chain... at 100%
5q0uRCSB PDB    PDBbind14aa, >5Q0U_2|Chains... at 100%
5q0vRCSB PDB    PDBbind14aa, >5Q0V_2|Chains... at 100%
5q0wRCSB PDB    PDBbind14aa, >5Q0W_2|Chain... at 100%
5q0xRCSB PDB    PDBbind14aa, >5Q0X_2|Chain... at 100%
5q0yRCSB PDB    PDBbind14aa, >5Q0Y_2|Chains... at 100%
5q0zRCSB PDB    PDBbind14aa, >5Q0Z_2|Chains... at 100%
5q10RCSB PDB    PDBbind14aa, >5Q10_2|Chain... at 100%
5q11RCSB PDB    PDBbind14aa, >5Q11_2|Chain... at 100%
5q12RCSB PDB    PDBbind14aa, >5Q12_2|Chain... at 100%
5q13RCSB PDB    PDBbind14aa, >5Q13_2|Chains... at 100%
5q14RCSB PDB    PDBbind14aa, >5Q14_2|Chains... at 100%
5q15RCSB PDB    PDBbind14aa, >5Q15_2|Chains... at 100%
5q16RCSB PDB    PDBbind14aa, >5Q16_2|Chains... at 100%
5q18RCSB PDB    PDBbind14aa, >5Q18_2|Chains... at 100%
5q19RCSB PDB    PDBbind14aa, >5Q19_2|Chains... at 100%
5q1aRCSB PDB    PDBbind14aa, >5Q1A_2|Chains... at 100%
5q1bRCSB PDB    PDBbind14aa, >5Q1B_2|Chains... at 100%
5q1cRCSB PDB    PDBbind14aa, >5Q1C_2|Chains... at 100%
5q1dRCSB PDB    PDBbind14aa, >5Q1D_2|Chains... at 100%
5q1fRCSB PDB    PDBbind14aa, >5Q1F_2|Chains... at 100%
5q1gRCSB PDB    PDBbind14aa, >5Q1G_2|Chain... at 100%
5q1hRCSB PDB    PDBbind14aa, >5Q1H_2|Chains... at 100%
5q1iRCSB PDB    PDBbind14aa, >5Q1I_2|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 ID5q1e
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBile acid receptor
Ligand Name9NG
EC.Number E.C.2.3.1.48
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)IC50=0.12uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Comput. Aided Mol. Des. Vol. : pp. -
Ligand Properties
Formula C24H21BrN6O3S2
Molecular Weight 585.496
Exact Mass 584.030
No. of atoms 57
No. of bonds 62
Polar Surface Area 148.77
LOGP Value 3.63      (Computed with XLOGP3)
5.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 6
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): Q96RI1  Q15788  
Entrez Gene IDNCBI Entrez Gene ID: 9971  8648  
ASDInformation of known allosteric effects of PDB entries
 
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