Browse entries in the PDBbind-CN Database

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Related entries of code: 6eir
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3anqRCSB PDB    PDBbind368aa, >3ANQ_1|Chains... at 97%
3anrRCSB PDB    PDBbind368aa, >3ANR_1|Chains... at 97%
4azeRCSB PDB    PDBbind382aa, >4AZE_1|Chains... *
4mq1RCSB PDB    PDBbind361aa, >4MQ1_1|Chains... at 100%
4mq2RCSB PDB    PDBbind361aa, >4MQ2_1|Chains... at 100%
4nctRCSB PDB    PDBbind368aa, >4NCT_1|Chains... at 97%
4yljRCSB PDB    PDBbind361aa, >4YLJ_1|Chains... at 100%
4ylkRCSB PDB    PDBbind361aa, >4YLK_1|Chain... at 100%
4yllRCSB PDB    PDBbind361aa, >4YLL_1|Chain... at 100%
5a3xRCSB PDB    PDBbind368aa, >5A3X_1|Chains... at 97%
5a4eRCSB PDB    PDBbind368aa, >5A4E_1|Chains... at 97%
5a4lRCSB PDB    PDBbind368aa, >5A4L_1|Chains... at 97%
5a4qRCSB PDB    PDBbind368aa, >5A4Q_1|Chains... at 97%
5a4tRCSB PDB    PDBbind368aa, >5A4T_1|Chains... at 97%
5a54RCSB PDB    PDBbind368aa, >5A54_1|Chains... at 97%
6eifRCSB PDB    PDBbind368aa, >6EIF_1|Chains... at 97%
6eijRCSB PDB    PDBbind368aa, >6EIJ_1|Chains... at 97%
6eilRCSB PDB    PDBbind368aa, >6EIL_1|Chains... at 97%
6eipRCSB PDB    PDBbind368aa, >6EIP_1|Chains... at 97%
6eiqRCSB PDB    PDBbind368aa, >6EIQ_1|Chains... at 97%
6eisRCSB PDB    PDBbind368aa, >6EIS_1|Chains... at 97%
6ej4RCSB PDB    PDBbind368aa, >6EJ4_1|Chains... at 97%
6t6aRCSB PDB    PDBbind361aa, >6T6A_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 ID6eir
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameDual specificity tyrosine-phosphorylation-regulated kinase 1A
Ligand NameB6H
EC.Number E.C.2.7.12.1
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=575nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 7560-7572
Ligand Properties
Formula C25H31N6O3S
Molecular Weight 495.617
Exact Mass 495.218
No. of atoms 66
No. of bonds 69
Polar Surface Area 142.26
LOGP Value 4.26      (Computed with XLOGP3)
4.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
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): Q13627  
Entrez Gene IDNCBI Entrez Gene ID: 1859  
ASDInformation of known allosteric effects of PDB entries
 
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