Browse entries in the PDBbind-CN Database

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Related entries of code: 5d7a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4oboRCSB PDB    PDBbind332aa, >4OBO_1|Chains... *
4obpRCSB PDB    PDBbind332aa, >4OBP_1|Chains... at 100%
4obqRCSB PDB    PDBbind332aa, >4OBQ_1|Chains... at 100%
4rvtRCSB PDB    PDBbind328aa, >4RVT_1|Chains... at 98%
4u43RCSB PDB    PDBbind332aa, >4U43_1|Chains... at 100%
4u44RCSB PDB    PDBbind332aa, >4U44_1|Chains... at 100%
4u45RCSB PDB    PDBbind332aa, >4U45_1|Chains... at 100%
4zk5RCSB PDB    PDBbind332aa, >4ZK5_1|Chains... at 100%
5ax9RCSB PDB    PDBbind308aa, >5AX9_1|Chains... at 90%
5di1RCSB PDB    PDBbind310aa, >5DI1_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5d7a
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namekinase domain of human TRAF2 and NCK-interacting protein kinase (TNIK-KD)
Ligand Name58C
EC.Number E.C.2.7.11.1
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=21nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nat Commun Vol. 7: pp. 12586-12586
Ligand Properties
Formula C21H21N5O2
Molecular Weight 375.424
Exact Mass 375.170
No. of atoms 49
No. of bonds 53
Polar Surface Area 95.95
LOGP Value 3.60      (Computed with XLOGP3)
4.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): Q9UKE5  
Entrez Gene IDNCBI Entrez Gene ID: 23043  
ASDInformation of known allosteric effects of PDB entries
 
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