Browse entries in the PDBbind-CN Database

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Related entries of code: 6gji
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%
6gjjRCSB PDB    PDBbind165aa, >6GJJ_1|Chain... at 100%
6gjlRCSB PDB    PDBbind165aa, >6GJL_1|Chain... at 100%
6gjmRCSB PDB    PDBbind165aa, >6GJM_1|Chain... at 100%
6gjnRCSB PDB    PDBbind165aa, >6GJN_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 ID6gji
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCypA
Ligand NameF1E
EC.Number E.C.5.2.1.8
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=135uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Chem Sci Vol. 10 : pp.542-547
Ligand Properties
Formula C16H22N6O3
Molecular Weight 346.384
Exact Mass 346.175
No. of atoms 47
No. of bonds 48
Polar Surface Area 115.37
LOGP Value -0.05      (Computed with XLOGP3)
1.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 2
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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