Browse entries in the PDBbind-CN Database

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Related entries of code: 3w1f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2x9eRCSB PDB    PDBbind317aa, >2X9E_1|Chain... at 99%
2zmdRCSB PDB    PDBbind390aa, >2ZMD_1|Chain... *
3gfwRCSB PDB    PDBbind313aa, >3GFW_1|Chain... at 92%
3h9fRCSB PDB    PDBbind313aa, >3H9F_1|Chain... at 92%
3hmoRCSB PDB    PDBbind342aa, >3HMO_1|Chain... at 99%
3hmpRCSB PDB    PDBbind342aa, >3HMP_1|Chain... at 99%
3vquRCSB PDB    PDBbind320aa, >3VQU_1|Chain... at 95%
3wyxRCSB PDB    PDBbind321aa, >3WYX_1|Chain... at 94%
3wyyRCSB PDB    PDBbind321aa, >3WYY_1|Chain... at 94%
3wzjRCSB PDB    PDBbind321aa, >3WZJ_1|Chain... at 94%
3wzkRCSB PDB    PDBbind321aa, >3WZK_1|Chain... at 94%
4bhzRCSB PDB    PDBbind313aa, >4BHZ_1|Chain... at 92%
4bi0RCSB PDB    PDBbind313aa, >4BI0_1|Chain... at 92%
4bi1RCSB PDB    PDBbind313aa, >4BI1_1|Chain... at 92%
4bi2RCSB PDB    PDBbind313aa, >4BI2_1|Chain... at 92%
4c4eRCSB PDB    PDBbind313aa, >4C4E_1|Chain... at 92%
4c4fRCSB PDB    PDBbind313aa, >4C4F_1|Chain... at 92%
4c4gRCSB PDB    PDBbind313aa, >4C4G_1|Chain... at 92%
4c4hRCSB PDB    PDBbind313aa, >4C4H_1|Chain... at 92%
4c4iRCSB PDB    PDBbind313aa, >4C4I_1|Chain... at 92%
4c4jRCSB PDB    PDBbind313aa, >4C4J_1|Chain... at 92%
4d2sRCSB PDB    PDBbind284aa, >4D2S_1|Chain... at 98%
5ap0RCSB PDB    PDBbind313aa, >5AP0_1|Chain... at 92%
5ap1RCSB PDB    PDBbind313aa, >5AP1_1|Chain... at 92%
5ap2RCSB PDB    PDBbind313aa, >5AP2_1|Chain... at 92%
5ap3RCSB PDB    PDBbind313aa, >5AP3_1|Chain... at 92%
5ap4RCSB PDB    PDBbind313aa, >5AP4_1|Chain... at 92%
5ap5RCSB PDB    PDBbind313aa, >5AP5_1|Chain... at 92%
5ap6RCSB PDB    PDBbind313aa, >5AP6_1|Chain... at 92%
5ap7RCSB PDB    PDBbind313aa, >5AP7_1|Chain... at 92%
5eh0RCSB PDB    PDBbind279aa, >5EH0_1|Chain... at 98%
5ehyRCSB PDB    PDBbind313aa, >5EHY_1|Chain... at 92%
5ei2RCSB PDB    PDBbind313aa, >5EI2_1|Chain... at 92%
5ei6RCSB PDB    PDBbind313aa, >5EI6_1|Chain... at 92%
5ei8RCSB PDB    PDBbind313aa, >5EI8_1|Chain... at 92%
5ljjRCSB PDB    PDBbind313aa, >5LJJ_1|Chain... at 92%
5mrbRCSB PDB    PDBbind313aa, >5MRB_1|Chain... at 92%
5n7vRCSB PDB    PDBbind313aa, >5N7V_1|Chain... at 92%
5n84RCSB PDB    PDBbind313aa, >5N84_1|Chain... at 92%
5n87RCSB PDB    PDBbind313aa, >5N87_1|Chain... at 92%
5n93RCSB PDB    PDBbind313aa, >5N93_1|Chain... at 92%
5n9sRCSB PDB    PDBbind313aa, >5N9S_1|Chain... at 92%
5na0RCSB PDB    PDBbind313aa, >5NA0_1|Chain... at 92%
5nadRCSB PDB    PDBbind313aa, >5NAD_1|Chain... at 92%
5nttRCSB PDB    PDBbind287aa, >5NTT_1|Chain... at 96%
5o91RCSB PDB    PDBbind313aa, >5O91_1|Chain... at 92%
6b4wRCSB PDB    PDBbind303aa, >6B4W_1|Chain... at 92%
6h3kRCSB PDB    PDBbind279aa, >6H3K_1|Chain... at 98%
6n6oRCSB PDB    PDBbind285aa, >6N6O_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3w1f
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDual specificity protein kinase TTK
Ligand Name1O5
EC.Number E.C.2.7.12.1
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=3.67nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem.Vol. 56: pp. 4343−4356.
Ligand Properties
Formula C20H21N5O3S
Molecular Weight 411.477
Exact Mass 411.137
No. of atoms 50
No. of bonds 53
Polar Surface Area 124.27
LOGP Value 2.42      (Computed with XLOGP3)
4.77      (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: 8
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): P33981  
Entrez Gene IDNCBI Entrez Gene ID: 7272  
ASDInformation of known allosteric effects of PDB entries
 
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