Browse entries in the PDBbind-CN Database

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Related entries of code: 3kaf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1f8aRCSB PDB    PDBbind167aa, >1F8A_1|Chain... *
2itkRCSB PDB    PDBbind167aa, >2ITK_1|Chain... at 99%
2xp3RCSB PDB    PDBbind167aa, >2XP3_1|Chain... at 99%
2xp4RCSB PDB    PDBbind167aa, >2XP4_1|Chain... at 99%
2xp5RCSB PDB    PDBbind167aa, >2XP5_1|Chain... at 99%
2xp6RCSB PDB    PDBbind167aa, >2XP6_1|Chain... at 98%
2xp7RCSB PDB    PDBbind167aa, >2XP7_1|Chain... at 99%
2xp8RCSB PDB    PDBbind167aa, >2XP8_1|Chain... at 99%
2xpaRCSB PDB    PDBbind167aa, >2XPA_1|Chain... at 99%
2xpbRCSB PDB    PDBbind167aa, >2XPB_1|Chain... at 99%
3i6cRCSB PDB    PDBbind123aa, >3I6C_1|Chains... at 95%
3ikdRCSB PDB    PDBbind123aa, >3IKD_1|Chains... at 95%
3ikgRCSB PDB    PDBbind123aa, >3IKG_1|Chains... at 95%
3jyjRCSB PDB    PDBbind123aa, >3JYJ_1|Chains... at 95%
3kabRCSB PDB    PDBbind167aa, >3KAB_1|Chain... at 99%
3kacRCSB PDB    PDBbind123aa, >3KAC_1|Chains... at 96%
3kadRCSB PDB    PDBbind167aa, >3KAD_1|Chain... at 98%
3kagRCSB PDB    PDBbind167aa, >3KAG_1|Chain... at 99%
3kahRCSB PDB    PDBbind167aa, >3KAH_1|Chain... at 99%
3kaiRCSB PDB    PDBbind167aa, >3KAI_1|Chain... at 99%
3kceRCSB PDB    PDBbind167aa, >3KCE_1|Chain... at 99%
3ntpRCSB PDB    PDBbind167aa, >3NTP_1|Chain... at 99%
3odkRCSB PDB    PDBbind167aa, >3ODK_1|Chain... at 99%
3oobRCSB PDB    PDBbind163aa, >3OOB_1|Chain... at 99%
3tc5RCSB PDB    PDBbind166aa, >3TC5_1|Chain... at 97%
4tyoRCSB PDB    PDBbind123aa, >4TYO_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3kaf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePeptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Ligand Name4D9
EC.Number E.C.5.2.1.8
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=0.83uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Bioorg.Med.Chem.Lett. Vol. 20: pp. 586-590
Ligand Properties
Formula C19H15N3O3S
Molecular Weight 365.406
Exact Mass 365.083
No. of atoms 41
No. of bonds 44
Polar Surface Area 123.32
LOGP Value 4.62      (Computed with XLOGP3)
3.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): Q13526  
Entrez Gene IDNCBI Entrez Gene ID: 5300  
ASDInformation of known allosteric effects of PDB entries
 
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