Related entries of code: 1i8h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
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1k3nRCSB PDB    PDBbind13-mer
1k3qRCSB PDB    PDBbind13-mer
1oebRCSB PDB    PDBbind13-mer
1opiRCSB PDB    PDBbind13-mer
1osvRCSB PDB    PDBbind13-mer
1ow6RCSB PDB    PDBbind13-mer
1ow7RCSB PDB    PDBbind13-mer
1ow8RCSB PDB    PDBbind13-mer
1p4uRCSB PDB    PDBbind13-mer
1r5vRCSB PDB    PDBbind13-mer
1r5wRCSB PDB    PDBbind13-mer
1rgjRCSB PDB    PDBbind13-mer
1sm3RCSB PDB    PDBbind13-mer
1thrRCSB PDB    PDBbind13-mer
1u9lRCSB PDB    PDBbind13-mer
1uefRCSB PDB    PDBbind13-mer
1yvhRCSB PDB    PDBbind13-mer
1ywhRCSB PDB    PDBbind13-mer
1zhkRCSB PDB    PDBbind13-mer
1zhlRCSB PDB    PDBbind13-mer
2a25RCSB PDB    PDBbind13-mer
2a3iRCSB PDB    PDBbind13-mer
2c9tRCSB PDB    PDBbind13-mer
2dwxRCSB PDB    PDBbind13-mer
2ftsRCSB PDB    PDBbind13-mer
2lasRCSB PDB    PDBbind13-mer
2lctRCSB PDB    PDBbind13-mer
2lspRCSB PDB    PDBbind13-mer
2ltoRCSB PDB    PDBbind13-mer
2lywRCSB PDB    PDBbind13-mer
2mc1RCSB PDB    PDBbind13-mer
2mkrRCSB PDB    PDBbind13-mer
2qkiRCSB PDB    PDBbind13-mer
2r0yRCSB PDB    PDBbind13-mer
2rnxRCSB PDB    PDBbind13-mer
2v87RCSB PDB    PDBbind13-mer
2vr3RCSB PDB    PDBbind13-mer
3askRCSB PDB    PDBbind13-mer
3bumRCSB PDB    PDBbind13-mer
3bunRCSB PDB    PDBbind13-mer
3buoRCSB PDB    PDBbind13-mer
3buwRCSB PDB    PDBbind13-mer
3buxRCSB PDB    PDBbind13-mer
3c3oRCSB PDB    PDBbind13-mer
3c3rRCSB PDB    PDBbind13-mer
3cojRCSB PDB    PDBbind13-mer
3e1rRCSB PDB    PDBbind13-mer
3eg6RCSB PDB    PDBbind13-mer
3emhRCSB PDB    PDBbind13-mer
3g2sRCSB PDB    PDBbind13-mer
3g2tRCSB PDB    PDBbind13-mer
3g2uRCSB PDB    PDBbind13-mer
3g2vRCSB PDB    PDBbind13-mer
3n5uRCSB PDB    PDBbind13-mer
3ntiRCSB PDB    PDBbind13-mer
3o1dRCSB PDB    PDBbind13-mer
3o1eRCSB PDB    PDBbind13-mer
3q5uRCSB PDB    PDBbind13-mer
3rqfRCSB PDB    PDBbind13-mer
3rqgRCSB PDB    PDBbind13-mer
3rz9RCSB PDB    PDBbind13-mer
3s7fRCSB PDB    PDBbind13-mer
3tdzRCSB PDB    PDBbind13-mer
4b9wRCSB PDB    PDBbind13-mer
4beaRCSB PDB    PDBbind13-mer
4bv2RCSB PDB    PDBbind13-mer
4f14RCSB PDB    PDBbind13-mer
4f20RCSB PDB    PDBbind13-mer
4h3qRCSB PDB    PDBbind13-mer
4ib5RCSB PDB    PDBbind13-mer
4jmgRCSB PDB    PDBbind13-mer
4jmhRCSB PDB    PDBbind13-mer
4l1uRCSB PDB    PDBbind13-Mer
4m7cRCSB PDB    PDBbind13-Mer
4mz5RCSB PDB    PDBbind13-mer
4mz6RCSB PDB    PDBbind13-mer
4n7hRCSB PDB    PDBbind13-mer
4po7RCSB PDB    PDBbind13-mer
4qh8RCSB PDB    PDBbind13-mer
4rmeRCSB PDB    PDBbind13-mer
4um9RCSB PDB    PDBbind13-mer
4umnRCSB PDB    PDBbind13-mer
4w4zRCSB PDB    PDBbind13-mer
4wj7RCSB PDB    PDBbind13-mer
4x3eRCSB PDB    PDBbind13-mer
5e0mRCSB PDB    PDBbind13-mer
5eayRCSB PDB    PDBbind13-mer

Entry Information
PDB ID1i8h
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePin1 WWdomain
Ligand Name13-mer
EC.Number E.C.5.2.1.8
Resolution NMR
Affinity (Kd/Ki/IC50)Kd=29uM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference(2001) J.Biol.Chem. Vol. 276: pp. 25150-25156
Ligand Properties
Formula C61H114N18O21P
Molecular Weight 1,466.640
Exact Mass 1,465.810
No. of atoms 215
No. of bonds 217
Polar Surface Area 653.26
LOGP Value -7.32      (Computed with XLOGP3)
-7.29      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 57
No. of Nitrogen and Oxygen Atoms: 39
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  P10636  
Entrez Gene IDNCBI Entrez Gene ID: 5300  4137  
ASDInformation of known allosteric effects of PDB entries

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