Browse entries in the PDBbind-CN Database

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Related entries of code: 3ck7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ck8RCSB PDB    PDBbind527aa, >3CK8_1|Chains... at 100%
3ckbRCSB PDB    PDBbind527aa, >3CKB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2zymRCSB PDB    PDBbindACX
3zstRCSB PDB    PDBbindACX
4femRCSB PDB    PDBbindACX

Entry Information
PDB ID3ck7
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSusD
Ligand NameACX
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=89uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Structure Vol. 16: pp. 1105-1115
Ligand Properties
Formula C36H60O30
Molecular Weight 972.844
Exact Mass 972.317
No. of atoms 126
No. of bonds 132
Polar Surface Area 474.9
LOGP Value -12.87      (Computed with XLOGP3)
-13.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 24
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 7
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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