Browse entries in the PDBbind-CN Database

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Related entries of code: 6c3e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ithRCSB PDB    PDBbind294aa, >4ITH_1|Chains... at 100%
4itiRCSB PDB    PDBbind294aa, >4ITI_1|Chains... at 100%
4itjRCSB PDB    PDBbind294aa, >4ITJ_1|Chains... at 100%
5hx6RCSB PDB    PDBbind303aa, >5HX6_1|Chains... *
5tx5RCSB PDB    PDBbind303aa, >5TX5_1|Chains... at 100%
6c4dRCSB PDB    PDBbind297aa, >6C4D_1|Chains... at 98%
6rlnRCSB PDB    PDBbind303aa, >6RLN_1|Chains... at 100%
6r5fRCSB PDB    PDBbind303aa, >6R5F_1|Chains... at 100%
6ocqRCSB PDB    PDBbind303aa, >6OCQ_1|Chains... at 100%
6nyhRCSB PDB    PDBbind296aa, >6NYH_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 ID6c3e
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman GST-His-RIPK1
Ligand NameEJY
EC.Number E.C.2.7.11.1
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=63.1nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 2384-2409
Ligand Properties
Formula C14H11N3O2
Molecular Weight 253.256
Exact Mass 253.085
No. of atoms 30
No. of bonds 32
Polar Surface Area 74.5
LOGP Value 3.27      (Computed with XLOGP3)
3.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
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): Q13546  
Entrez Gene IDNCBI Entrez Gene ID: 8737  
ASDInformation of known allosteric effects of PDB entries
 
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