Browse entries in the PDBbind-CN Database

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Related entries of code: 3ck8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ck7RCSB PDB    PDBbind527aa, >3CK7_1|Chains... *
3ckbRCSB PDB    PDBbind527aa, >3CKB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1dmbRCSB PDB    PDBbindBCD
2y4sRCSB PDB    PDBbindBCD
2zynRCSB PDB    PDBbindBCD
3m3rRCSB PDB    PDBbindBCD
5mk9RCSB PDB    PDBbindBCD

Entry Information
PDB ID3ck8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSusD
Ligand NameBCD
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=146uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Structure Vol. 16: pp. 1105-1115
Ligand Properties
Formula C42H70O35
Molecular Weight 1134.980
Exact Mass 1134.370
No. of atoms 147
No. of bonds 154
Polar Surface Area 554.05
LOGP Value -15.02      (Computed with XLOGP3)
-15.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 21
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 28
No. of Nitrogen and Oxygen Atoms: 35
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): Q8A1G2  
Entrez Gene IDNCBI Entrez Gene ID: 60924870  
ASDInformation of known allosteric effects of PDB entries

 
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