Browse entries in the PDBbind-CN Database

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Related entries of code: 2itk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1f8aRCSB PDB    PDBbind167aa, >1F8A_1|Chain... *
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%
3kafRCSB PDB    PDBbind167aa, >3KAF_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
1a7cRCSB PDB    PDBbind6-mer
1elrRCSB PDB    PDBbind6-mer
1guiRCSB PDB    PDBbind6-mer
1gvxRCSB PDB    PDBbind6-mer
1gwmRCSB PDB    PDBbind6-mer
1k9rRCSB PDB    PDBbind6-mer
1lybRCSB PDB    PDBbind6-mer
1njtRCSB PDB    PDBbind6-mer
1okvRCSB PDB    PDBbind6-mer
1ol1RCSB PDB    PDBbind6-mer
1ol2RCSB PDB    PDBbind6-mer
1q4kRCSB PDB    PDBbind6-mer
1rhkRCSB PDB    PDBbind6-mer
1sldRCSB PDB    PDBbind6-mer
1smeRCSB PDB    PDBbind6-mer
1strRCSB PDB    PDBbind6-mer
1urcRCSB PDB    PDBbind6-mer
1xt3RCSB PDB    PDBbind6-mer
1ym2RCSB PDB    PDBbind6-mer
1zfpRCSB PDB    PDBbind6-mer
2h65RCSB PDB    PDBbind6-mer
2h6tRCSB PDB    PDBbind6-mer
2hobRCSB PDB    PDBbind6-mer
2l65RCSB PDB    PDBbind6-mer
2oqsRCSB PDB    PDBbind6-mer
2q6fRCSB PDB    PDBbind6-mer
2qzxRCSB PDB    PDBbind6-mer
2r0zRCSB PDB    PDBbind6-mer
2w76RCSB PDB    PDBbind6-mer
2x6xRCSB PDB    PDBbind6-mer
3avzRCSB PDB    PDBbind6-mer
3aw0RCSB PDB    PDBbind6-mer
3bv9RCSB PDB    PDBbind6-mer
3driRCSB PDB    PDBbind6-mer
3eysRCSB PDB    PDBbind6-mer
3fv3RCSB PDB    PDBbind6-mer
3fwvRCSB PDB    PDBbind6-mer
3h6zRCSB PDB    PDBbind6-mer
3hikRCSB PDB    PDBbind6-mer
3iquRCSB PDB    PDBbind6-mer
3iqvRCSB PDB    PDBbind6-mer
3kd7RCSB PDB    PDBbind6-mer
3luoRCSB PDB    PDBbind6-mer
3nthRCSB PDB    PDBbind6-mer
3oldRCSB PDB    PDBbind6-mer
3pslRCSB PDB    PDBbind6-mer
3q4jRCSB PDB    PDBbind6-mer
3q4kRCSB PDB    PDBbind6-mer
3q4lRCSB PDB    PDBbind6-mer
3r5jRCSB PDB    PDBbind6-mer
3r6gRCSB PDB    PDBbind6-mer
3rjmRCSB PDB    PDBbind6-mer
3sm1RCSB PDB    PDBbind6-mer
3snaRCSB PDB    PDBbind6-mer
3snbRCSB PDB    PDBbind6-mer
3sncRCSB PDB    PDBbind6-mer
3sndRCSB PDB    PDBbind6-mer
3u51RCSB PDB    PDBbind6-mer
3ux0RCSB PDB    PDBbind6-mer
3wqwRCSB PDB    PDBbind6-mer
3zmtRCSB PDB    PDBbind6-mer
3zmuRCSB PDB    PDBbind6-mer
3zmvRCSB PDB    PDBbind6-mer
3zmzRCSB PDB    PDBbind6-mer
3zn0RCSB PDB    PDBbind6-mer
3zn1RCSB PDB    PDBbind6-mer
4a0jRCSB PDB    PDBbind6-mer
4apoRCSB PDB    PDBbind6-mer
4b3bRCSB PDB    PDBbind6-mer
4b4qRCSB PDB    PDBbind6-mer
4b8yRCSB PDB    PDBbind6-mer
4c4nRCSB PDB    PDBbind6-mer
4dgbRCSB PDB    PDBbind6-mer
4er2RCSB PDB    PDBbind6-mer
4exhRCSB PDB    PDBbind6-mer
4fr3RCSB PDB    PDBbind6-mer
4fysRCSB PDB    PDBbind6-mer
4fz3RCSB PDB    PDBbind6-mer
4gyeRCSB PDB    PDBbind6-mer
4gzfRCSB PDB    PDBbind6-mer
4ifiRCSB PDB    PDBbind6-mer
4iknRCSB PDB    PDBbind6-mer
4j09RCSB PDB    PDBbind6-mer
4j77RCSB PDB    PDBbind6-mer
4j79RCSB PDB    PDBbind6-mer
4j86RCSB PDB    PDBbind6-mer
4j8bRCSB PDB    PDBbind6-mer
4jj7RCSB PDB    PDBbind6-mer
4jj8RCSB PDB    PDBbind6-mer
4jjeRCSB PDB    PDBbind6-mer
4jr0RCSB PDB    PDBbind6-mer
4k3oRCSB PDB    PDBbind6-mer
4k3pRCSB PDB    PDBbind6-mer
4k3qRCSB PDB    PDBbind6-mer
4k3rRCSB PDB    PDBbind6-mer
4ny3RCSB PDB    PDBbind6-mer
4o9wRCSB PDB    PDBbind6-mer
4ou3RCSB PDB    PDBbind6-mer
4tszRCSB PDB    PDBbind6-mer
4tt2RCSB PDB    PDBbind6-mer
4wk2RCSB PDB    PDBbind6-mer
4wvtRCSB PDB    PDBbind6-mer
4x9rRCSB PDB    PDBbind6-mer
4x9vRCSB PDB    PDBbind6-mer
4ynlRCSB PDB    PDBbind6-mer
5a2iRCSB PDB    PDBbind6-mer
5a2jRCSB PDB    PDBbind6-mer
5a2kRCSB PDB    PDBbind6-mer
5e1bRCSB PDB    PDBbind6-mer
5e1dRCSB PDB    PDBbind6-mer
5e1mRCSB PDB    PDBbind6-mer
5e1oRCSB PDB    PDBbind6-mer
5epkRCSB PDB    PDBbind6-mer
5eplRCSB PDB    PDBbind6-mer
5eq0RCSB PDB    PDBbind6-mer
5fotRCSB PDB    PDBbind6-mer
5fouRCSB PDB    PDBbind6-mer
5fovRCSB PDB    PDBbind6-mer
5fowRCSB PDB    PDBbind6-mer
5foxRCSB PDB    PDBbind6-mer
5fpkRCSB PDB    PDBbind6-mer
5gwzRCSB PDB    PDBbind6-mer
5hvpRCSB PDB    PDBbind6-mer
5izfRCSB PDB    PDBbind6-mer
5l7kRCSB PDB    PDBbind6-mer
5lrgRCSB PDB    PDBbind6-mer
5lrjRCSB PDB    PDBbind6-mer
5lrkRCSB PDB    PDBbind6-mer
5lsoRCSB PDB    PDBbind6-mer
5tpcRCSB PDB    PDBbind6-mer
5w94RCSB PDB    PDBbind6-mer
5y24RCSB PDB    PDBbind6-mer
6aprRCSB PDB    PDBbind6-mer
6aszRCSB PDB    PDBbind6-mer
6at0RCSB PDB    PDBbind6-mer
6cdgRCSB PDB    PDBbind6-mer
6cgtRCSB PDB    PDBbind6-mer
6do4RCSB PDB    PDBbind6-mer
6do5RCSB PDB    PDBbind6-mer
6dubRCSB PDB    PDBbind6-mer
6eqxRCSB PDB    PDBbind6-mer
7hvpRCSB PDB    PDBbind6-mer
6rheRCSB PDB    PDBbind6-mer
6nsxRCSB PDB    PDBbind6-mer
6nsvRCSB PDB    PDBbind6-mer
6jijRCSB PDB    PDBbind6-mer
6im4RCSB PDB    PDBbind6-mer
6hzdRCSB PDB    PDBbind6-mer
6hzcRCSB PDB    PDBbind6-mer
6hp5RCSB PDB    PDBbind6-mer
6hmyRCSB PDB    PDBbind6-mer
6hleRCSB PDB    PDBbind6-mer
6fvoRCSB PDB    PDBbind6-mer
6fvnRCSB PDB    PDBbind6-mer
6fvmRCSB PDB    PDBbind6-mer
6fvlRCSB PDB    PDBbind6-mer
6efkRCSB PDB    PDBbind6-mer
6a30RCSB PDB    PDBbind6-mer
5zw6RCSB PDB    PDBbind6-mer
5zvwRCSB PDB    PDBbind6-mer
Entry Information
PDB ID2itk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePeptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Ligand Name6-mer
EC.Number E.C.5.2.1.8
Resolution 1.45(Å)
Affinity (Kd/Ki/IC50)Ki=20.4nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference ACS Chemical Biology. 2007, 2, 320-328.
Ligand Properties
Formula C31H46N7O10P
Molecular Weight 707.712
Exact Mass 707.304
No. of atoms 95
No. of bonds 97
Polar Surface Area 304.94
LOGP Value -4.20      (Computed with XLOGP3)
0.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 17
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): Q13526  
Entrez Gene IDNCBI Entrez Gene ID: 5300  
ASDInformation of known allosteric effects of PDB entries
 
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