Browse entries in the PDBbind-CN Database

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Related entries of code: 4yzc
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%
4pl4RCSB PDB    PDBbind435aa, >4PL4_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%
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
1aq1RCSB PDB    PDBbindSTU
1nvrRCSB PDB    PDBbindSTU
1okyRCSB PDB    PDBbindSTU
1q3dRCSB PDB    PDBbindSTU
1sm2RCSB PDB    PDBbindSTU
1stcRCSB PDB    PDBbindSTU
1u59RCSB PDB    PDBbindSTU
1xbcRCSB PDB    PDBbindSTU
1xjdRCSB PDB    PDBbindSTU
1yhsRCSB PDB    PDBbindSTU
2dq7RCSB PDB    PDBbindSTU
2gcdRCSB PDB    PDBbindSTU
2oicRCSB PDB    PDBbindSTU
2z7rRCSB PDB    PDBbindSTU
3a4oRCSB PDB    PDBbindSTU
3hmoRCSB PDB    PDBbindSTU
4erwRCSB PDB    PDBbindSTU
4qmyRCSB PDB    PDBbindSTU
5e8wRCSB PDB    PDBbindSTU
5kq5RCSB PDB    PDBbindSTU
5lohRCSB PDB    PDBbindSTU
Entry Information
PDB ID4yzc
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamepIRE1alpha
Ligand NameSTU
EC.Number E.C.2.7.11.1
Resolution 2.49(Å)
Affinity (Kd/Ki/IC50)IC50=3nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Mol.Pharmacol. Vol. 88: pp. 1011-1023
Ligand Properties
Formula C28H30N4O3
Molecular Weight 470.563
Exact Mass 470.232
No. of atoms 65
No. of bonds 72
Polar Surface Area 81.77
LOGP Value 2.78      (Computed with XLOGP3)
3.72      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 8
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): O75460  
Entrez Gene IDNCBI Entrez Gene ID: 2081  
ASDInformation of known allosteric effects of PDB entries
 
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