Browse entries in the PDBbind-CN Database

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Related entries of code: 5t9w
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%
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%
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 ID5t9w
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCyclophilin A
Ligand Name78E
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=2600nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 1000-1017
Ligand Properties
Formula C30H43N4O6
Molecular Weight 555.686
Exact Mass 555.318
No. of atoms 83
No. of bonds 85
Polar Surface Area 141.65
LOGP Value 4.40      (Computed with XLOGP3)
3.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
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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