Browse entries in the PDBbind-CN Database

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Related entries of code: 6gjn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ak4RCSB PDB    PDBbind165aa, >1AK4_1|Chains... at 100%
1nmkRCSB PDB    PDBbind165aa, >1NMK_1|Chains... at 100%
1w8lRCSB PDB    PDBbind165aa, >1W8L_1|Chain... at 100%
1w8mRCSB PDB    PDBbind165aa, >1W8M_1|Chain... at 100%
1yndRCSB PDB    PDBbind165aa, >1YND_1|Chains... at 100%
2ms4RCSB PDB    PDBbind165aa, >2MS4_1|Chain... at 100%
2x2dRCSB PDB    PDBbind165aa, >2X2D_1|Chains... at 100%
4dgbRCSB PDB    PDBbind165aa, >4DGB_1|Chain... at 98%
4dgeRCSB PDB    PDBbind165aa, >4DGE_1|Chains... at 98%
5ludRCSB PDB    PDBbind165aa, >5LUD_1|Chain... at 100%
5t9uRCSB PDB    PDBbind164aa, >5T9U_1|Chains... at 100%
5t9wRCSB PDB    PDBbind164aa, >5T9W_1|Chain... at 100%
5t9zRCSB PDB    PDBbind163aa, >5T9Z_1|Chain... at 100%
5ta2RCSB PDB    PDBbind163aa, >5TA2_1|Chain... at 100%
5ta4RCSB PDB    PDBbind164aa, >5TA4_1|Chain... at 100%
6gjiRCSB PDB    PDBbind165aa, >6GJI_1|Chain... at 100%
6gjjRCSB PDB    PDBbind165aa, >6GJJ_1|Chain... at 100%
6gjlRCSB PDB    PDBbind165aa, >6GJL_1|Chain... at 100%
6gjmRCSB PDB    PDBbind165aa, >6GJM_1|Chain... at 100%
6gjrRCSB PDB    PDBbind165aa, >6GJR_1|Chain... at 100%
6gjyRCSB PDB    PDBbind165aa, >6GJY_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 ID6gjn
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCypA
Ligand NameF0Q
EC.Number E.C.5.2.1.8
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=0.6uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Chem Sci Vol.10 : pp.542-547
Ligand Properties
Formula C23H27BrN8O2
Molecular Weight 527.417
Exact Mass 526.144
No. of atoms 61
No. of bonds 64
Polar Surface Area 122.27
LOGP Value 2.33      (Computed with XLOGP3)
3.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
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): P62937  
Entrez Gene IDNCBI Entrez Gene ID: 5478  
ASDInformation of known allosteric effects of PDB entries
 
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