Browse entries in the PDBbind-CN Database

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Related entries of code: 4pl4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3p23RCSB PDB    PDBbind432aa, >3P23_1|Chains... at 99%
4pl3RCSB PDB    PDBbind435aa, >4PL3_1|Chains... at 91%
4pl5RCSB PDB    PDBbind435aa, >4PL5_1|Chains... at 91%
4u6rRCSB PDB    PDBbind455aa, >4U6R_1|Chain... *
4yz9RCSB PDB    PDBbind405aa, >4YZ9_1|Chains... at 99%
4yzcRCSB PDB    PDBbind405aa, >4YZC_1|Chains... at 99%
4z7hRCSB PDB    PDBbind416aa, >4Z7H_1|Chains... at 99%
6hx1RCSB PDB    PDBbind403aa, >6HX1_1|Chain... at 99%
6hv0RCSB PDB    PDBbind416aa, >6HV0_1|Chain... 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 ID4pl4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase/endoribonuclease IRE1-alpha
Ligand Name31K
EC.Number E.C.2.7.11.1
Resolution 3(Å)
Affinity (Kd/Ki/IC50)IC50=5.4uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) NATURE COMMUNICATIONS Vol. 5.4202: pp.1-16
Ligand Properties
Formula C17H19NO3
Molecular Weight 285.338
Exact Mass 285.136
No. of atoms 40
No. of bonds 42
Polar Surface Area 41.93
LOGP Value 3.40      (Computed with XLOGP3)
3.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
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): Q9EQY0  
Entrez Gene IDNCBI Entrez Gene ID: 78943  
ASDInformation of known allosteric effects of PDB entries
 
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