Related entries of code: 2itk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1f8aRCSB PDB    PDBbind167aa, >1f8a_B... at 99%
2xp3RCSB PDB    PDBbind167aa, >2xp3_A... at 100%
2xp4RCSB PDB    PDBbind167aa, >2xp4_A... at 100%
2xp5RCSB PDB    PDBbind167aa, >2xp5_A... at 100%
2xp6RCSB PDB    PDBbind167aa, >2xp6_A... at 99%
2xp7RCSB PDB    PDBbind167aa, >2xp7_A... at 100%
2xp8RCSB PDB    PDBbind167aa, >2xp8_A... at 100%
2xpaRCSB PDB    PDBbind167aa, >2xpa_A... at 100%
2xpbRCSB PDB    PDBbind167aa, >2xpb_A... at 100%
3i6cRCSB PDB    PDBbind123aa, >3i6c_B... at 95%
3ikdRCSB PDB    PDBbind123aa, >3ikd_B... at 95%
3ikgRCSB PDB    PDBbind123aa, >3ikg_B... at 95%
3jyjRCSB PDB    PDBbind123aa, >3jyj_B... at 95%
3kabRCSB PDB    PDBbind167aa, >3kab_A... at 100%
3kacRCSB PDB    PDBbind123aa, >3kac_B... at 96%
3kadRCSB PDB    PDBbind167aa, >3kad_A... at 99%
3kafRCSB PDB    PDBbind167aa, >3kaf_A... at 99%
3kagRCSB PDB    PDBbind167aa, >3kag_A... at 100%
3kahRCSB PDB    PDBbind167aa, >3kah_A... at 100%
3kaiRCSB PDB    PDBbind167aa, >3kai_A... at 100%
3kceRCSB PDB    PDBbind167aa, >3kce_A... at 100%
3ntpRCSB PDB    PDBbind167aa, >3ntp_A... at 100%
3odkRCSB PDB    PDBbind167aa, >3odk_A... at 100%
3oobRCSB PDB    PDBbind163aa, >3oob_A... at 100%
3tc5RCSB PDB    PDBbind166aa, >3tc5_A... at 98%
4tyoRCSB PDB    PDBbind123aa, >4tyo_B... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1d8eRCSB PDB    PDBbind6-mer
1elrRCSB PDB    PDBbind6-mer
1eppRCSB PDB    PDBbind6-mer
1evhRCSB PDB    PDBbind6-mer
1fq5RCSB PDB    PDBbind6-mer
1guiRCSB PDB    PDBbind6-mer
1gvuRCSB PDB    PDBbind6-mer
1gvxRCSB PDB    PDBbind6-mer
1gwmRCSB PDB    PDBbind6-mer
1iiqRCSB PDB    PDBbind6-mer
1jp5RCSB PDB    PDBbind6-mer
1k9rRCSB PDB    PDBbind6-mer
1lybRCSB PDB    PDBbind6-mer
1lzqRCSB PDB    PDBbind6-mer
1m0bRCSB PDB    PDBbind6-mer
1njtRCSB PDB    PDBbind6-mer
1njuRCSB PDB    PDBbind6-mer
1nkmRCSB PDB    PDBbind6-mer
1okvRCSB PDB    PDBbind6-mer
1ol1RCSB PDB    PDBbind6-mer
1ol2RCSB PDB    PDBbind6-mer
1q4kRCSB PDB    PDBbind6-mer
1rhkRCSB PDB    PDBbind6-mer
1urcRCSB PDB    PDBbind6-mer
1xt3RCSB PDB    PDBbind6-mer
1zsfRCSB PDB    PDBbind6-mer
1zsrRCSB PDB    PDBbind6-mer
2h65RCSB PDB    PDBbind6-mer
2oqsRCSB PDB    PDBbind6-mer
2r0zRCSB PDB    PDBbind6-mer
2w76RCSB PDB    PDBbind6-mer
3avzRCSB PDB    PDBbind6-mer
3aw0RCSB PDB    PDBbind6-mer
3bv9RCSB PDB    PDBbind6-mer
3dcrRCSB PDB    PDBbind6-mer
3driRCSB PDB    PDBbind6-mer
3eysRCSB PDB    PDBbind6-mer
3fv3RCSB PDB    PDBbind6-mer
3fwvRCSB PDB    PDBbind6-mer
3gxyRCSB 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
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
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
4b8yRCSB 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
5er1RCSB PDB    PDBbind6-mer
5er2RCSB PDB    PDBbind6-mer
5hvpRCSB PDB    PDBbind6-mer
6aprRCSB PDB    PDBbind6-mer
6cgtRCSB 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 ReferenceACS 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 likenessNo. 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
ASDInformation of known allosteric effects of PDB entries

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