Browse entries in the PDBbind-CN Database

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Related entries of code: 4bkj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3zosRCSB PDB    PDBbind315aa, >3ZOS_1|Chains... at 100%
4ckrRCSB PDB    PDBbind315aa, >4CKR_1|Chain... at 100%
5bvkRCSB PDB    PDBbind324aa, >5BVK_1|Chain... at 96%
5bvnRCSB PDB    PDBbind324aa, >5BVN_1|Chain... at 96%
5bvoRCSB PDB    PDBbind324aa, >5BVO_1|Chain... at 96%
5bvwRCSB PDB    PDBbind324aa, >5BVW_1|Chain... at 96%
5fdpRCSB PDB    PDBbind337aa, >5FDP_1|Chain... *
6fewRCSB PDB    PDBbind321aa, >6FEW_1|Chain... at 95%
6fexRCSB PDB    PDBbind321aa, >6FEX_1|Chain... at 95%
6filRCSB PDB    PDBbind321aa, >6FIL_1|Chain... at 95%
6gwrRCSB PDB    PDBbind315aa, >6GWR_1|Chains... at 100%
6hp9RCSB PDB    PDBbind315aa, >6HP9_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1iepRCSB PDB    PDBbindSTI
1t46RCSB PDB    PDBbindSTI
1xbbRCSB PDB    PDBbindSTI
2hyyRCSB PDB    PDBbindSTI
2oiqRCSB PDB    PDBbindSTI
2pl0RCSB PDB    PDBbindSTI
3gvuRCSB PDB    PDBbindSTI
3hecRCSB PDB    PDBbindSTI
5mqtRCSB PDB    PDBbindSTI

Entry Information
PDB ID4bkj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman DDR1 kinase domain
Ligand NameSTI
EC.Number E.C.
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=1.9nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Mol.Biol. Vol. 426: pp. 2457-2469
Ligand Properties
Formula C29H33N7O
Molecular Weight 495.619
Exact Mass 495.275
No. of atoms 70
No. of bonds 74
Polar Surface Area 88.68
LOGP Value 3.52      (Computed with XLOGP3)
5.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
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): Q08345  
Entrez Gene IDNCBI Entrez Gene ID: 780  
ASDInformation of known allosteric effects of PDB entries

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