Browse entries in the PDBbind-CN Database

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Related entries of code: 4a50
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1q0bRCSB PDB    PDBbind367aa, >1Q0B_1|Chains... at 100%
1yrsRCSB PDB    PDBbind368aa, >1YRS_1|Chains... at 100%
2fkyRCSB PDB    PDBbind367aa, >2FKY_1|Chains... at 100%
2fl2RCSB PDB    PDBbind367aa, >2FL2_1|Chains... at 100%
2fl6RCSB PDB    PDBbind367aa, >2FL6_1|Chains... at 100%
2fmeRCSB PDB    PDBbind368aa, >2FME_1|Chains... at 100%
2g1qRCSB PDB    PDBbind368aa, >2G1Q_1|Chains... at 100%
2gm1RCSB PDB    PDBbind368aa, >2GM1_1|Chains... at 100%
2iehRCSB PDB    PDBbind367aa, >2IEH_1|Chains... at 100%
2pg2RCSB PDB    PDBbind368aa, >2PG2_1|Chains... at 100%
2q2yRCSB PDB    PDBbind367aa, >2Q2Y_1|Chains... at 100%
2q2zRCSB PDB    PDBbind367aa, >2Q2Z_1|Chains... at 100%
2uyiRCSB PDB    PDBbind368aa, >2UYI_1|Chains... at 100%
2uymRCSB PDB    PDBbind368aa, >2UYM_1|Chains... at 100%
2x2rRCSB PDB    PDBbind368aa, >2X2R_1|Chains... at 100%
2x7cRCSB PDB    PDBbind368aa, >2X7C_1|Chains... at 100%
2x7dRCSB PDB    PDBbind368aa, >2X7D_1|Chains... at 100%
2xaeRCSB PDB    PDBbind368aa, >2XAE_1|Chains... at 100%
3cjoRCSB PDB    PDBbind367aa, >3CJO_1|Chains... at 100%
3k3bRCSB PDB    PDBbind368aa, >3K3B_1|Chains... at 100%
3kenRCSB PDB    PDBbind369aa, >3KEN_1|Chain... at 100%
3l9hRCSB PDB    PDBbind368aa, >3L9H_1|Chains... at 100%
3wpnRCSB PDB    PDBbind382aa, >3WPN_1|Chain... *
3zcwRCSB PDB    PDBbind348aa, >3ZCW_1|Chain... at 100%
4a51RCSB PDB    PDBbind368aa, >4A51_1|Chains... at 100%
4ap0RCSB PDB    PDBbind370aa, >4AP0_1|Chains... at 99%
4bbgRCSB PDB    PDBbind368aa, >4BBG_1|Chain... at 100%
4bxnRCSB PDB    PDBbind368aa, >4BXN_1|Chains... at 100%
5zo7RCSB PDB    PDBbind367aa, >5ZO7_1|Chains... at 100%
5zo8RCSB PDB    PDBbind367aa, >5ZO8_1|Chains... at 100%
5zo9RCSB PDB    PDBbind367aa, >5ZO9_1|Chains... at 100%
6g6yRCSB PDB    PDBbind370aa, >6G6Y_1|Chain... at 99%
6g6zRCSB PDB    PDBbind370aa, >6G6Z_1|Chain... at 99%
6hkyRCSB PDB    PDBbind368aa, >6HKY_1|Chains... at 100%
6hkxRCSB PDB    PDBbind368aa, >6HKX_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4a50
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman kinesin Eg5
Ligand NameDQ6/DQ7
EC.Number E.C.-.-.-.-
Resolution 2.75(Å)
Affinity (Kd/Ki/IC50)Ki=12.2nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 1511-1525
Ligand Properties
Formula C24H26NO2
Molecular Weight 360.469
Exact Mass 360.196
No. of atoms 53
No. of bonds 55
Polar Surface Area 64.94
LOGP Value 3.68      (Computed with XLOGP3)
3.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 3
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): P52732  
Entrez Gene IDNCBI Entrez Gene ID: 3832  
ASDInformation of known allosteric effects of PDB entries
 
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