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Related entries of code: 3k5u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2bmcRCSB PDB    PDBbind306aa, >2bmc_F... at 100%
2c6eRCSB PDB    PDBbind283aa, >2c6e_B... at 98%
2j4zRCSB PDB    PDBbind306aa, >2j4z_B... at 99%
2j50RCSB PDB    PDBbind280aa, >2j50_B... at 98%
2np8RCSB PDB    PDBbind272aa, >2np8_A... at 97%
2w1cRCSB PDB    PDBbind275aa, >2w1c_A... at 96%
2w1dRCSB PDB    PDBbind275aa, >2w1d_A... at 96%
2w1eRCSB PDB    PDBbind275aa, >2w1e_A... at 96%
2w1fRCSB PDB    PDBbind275aa, >2w1f_A... at 96%
2w1gRCSB PDB    PDBbind275aa, >2w1g_A... at 96%
2wtvRCSB PDB    PDBbind285aa, >2wtv_D... at 97%
2wtwRCSB PDB    PDBbind285aa, >2wtw_A... at 97%
2x6dRCSB PDB    PDBbind285aa, >2x6d_A... at 98%
2x6eRCSB PDB    PDBbind285aa, >2x6e_A... at 98%
2x81RCSB PDB    PDBbind272aa, >2x81_A... at 97%
2xneRCSB PDB    PDBbind272aa, >2xne_A... at 98%
2xngRCSB PDB    PDBbind283aa, >2xng_A... at 98%
2xruRCSB PDB    PDBbind280aa, >2xru_A... at 98%
3cohRCSB PDB    PDBbind268aa, >3coh_B... at 97%
3d14RCSB PDB    PDBbind272aa, >3d14_A... at 92%
3dajRCSB PDB    PDBbind272aa, >3daj_A... at 92%
3efwRCSB PDB    PDBbind267aa, >3efw_B... at 99%
3fdnRCSB PDB    PDBbind279aa, >3fdn_A... at 99%
3h0yRCSB PDB    PDBbind268aa, >3h0y_A... at 98%
3h0zRCSB PDB    PDBbind268aa, >3h0z_C... at 98%
3lauRCSB PDB    PDBbind287aa, >3lau_A... at 95%
3m11RCSB PDB    PDBbind279aa, >3m11_A... at 99%
3mygRCSB PDB    PDBbind272aa, >3myg_A... at 97%
3nrmRCSB PDB    PDBbind283aa, >3nrm_A... at 97%
3p9jRCSB PDB    PDBbind268aa, >3p9j_A... at 98%
3qbnRCSB PDB    PDBbind281aa, >3qbn_A... at 97%
3r21RCSB PDB    PDBbind271aa, >3r21_A... at 98%
3r22RCSB PDB    PDBbind271aa, >3r22_A... at 98%
3unzRCSB PDB    PDBbind279aa, >3unz_B... at 99%
3uo4RCSB PDB    PDBbind279aa, >3uo4_A... at 99%
3uo5RCSB PDB    PDBbind279aa, >3uo5_A... at 99%
3uo6RCSB PDB    PDBbind279aa, >3uo6_B... at 99%
3uodRCSB PDB    PDBbind279aa, >3uod_A... at 99%
3uohRCSB PDB    PDBbind279aa, >3uoh_B... at 99%
3uojRCSB PDB    PDBbind279aa, >3uoj_B... at 99%
3uokRCSB PDB    PDBbind279aa, >3uok_B... at 99%
3uolRCSB PDB    PDBbind279aa, >3uol_B... at 99%
3up2RCSB PDB    PDBbind279aa, >3up2_A... at 99%
3up7RCSB PDB    PDBbind279aa, >3up7_A... at 99%
3vapRCSB PDB    PDBbind272aa, >3vap_A... at 97%
4b0gRCSB PDB    PDBbind283aa, >4b0g_A... at 98%
4byiRCSB PDB    PDBbind285aa, >4byi_A... at 98%
4byjRCSB PDB    PDBbind285aa, >4byj_A... at 98%
4deaRCSB PDB    PDBbind279aa, >4dea_A... at 99%
4debRCSB PDB    PDBbind279aa, >4deb_A... at 99%
4dedRCSB PDB    PDBbind279aa, >4ded_A... at 99%
4dhfRCSB PDB    PDBbind271aa, >4dhf_B... at 98%
4j8mRCSB PDB    PDBbind279aa, >4j8m_A... at 99%
4jaiRCSB PDB    PDBbind284aa, >4jai_A... at 96%
4jajRCSB PDB    PDBbind284aa, >4jaj_A... at 96%
4jboRCSB PDB    PDBbind279aa, >4jbo_A... at 99%
4jbpRCSB PDB    PDBbind279aa, >4jbp_A... at 99%
4prjRCSB PDB    PDBbind269aa, >4prj_A... at 97%
4uynRCSB PDB    PDBbind287aa, >4uyn_A... at 95%
4uzdRCSB PDB    PDBbind287aa, >4uzd_B... at 95%
4uzhRCSB PDB    PDBbind287aa, >4uzh_A... at 95%
5aadRCSB PDB    PDBbind285aa, >5aad_A... at 97%
5aaeRCSB PDB    PDBbind285aa, >5aae_A... at 97%
5aafRCSB PDB    PDBbind285aa, >5aaf_A... at 97%
5aagRCSB PDB    PDBbind285aa, >5aag_A... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2brbRCSB PDB    PDBbindPFQ

Entry Information
PDB ID3k5u
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAurora kinase A T288D mutant
Ligand NamePFQ
EC.Number E.C.2.7.11.1
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)IC50=309nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference(2010) Chemmedchem Vol. 5: pp. 255-267
Ligand Properties
Formula C20H17N3O2
Molecular Weight 331.368
Exact Mass 331.132
No. of atoms 42
No. of bonds 45
Polar Surface Area 71.18
LOGP Value 3.86      (Computed with XLOGP3)
4.03      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
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): O14965  
Entrez Gene IDNCBI Entrez Gene ID: 6790  
ASDInformation of known allosteric effects of PDB entries

 
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