Browse entries in the PDBbind-CN Database

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Related entries of code: 4qlk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3f5jRCSB PDB    PDBbind481aa, >3F5J_1|Chains... *
3f5kRCSB PDB    PDBbind481aa, >3F5K_1|Chains... at 100%
3f5lRCSB PDB    PDBbind481aa, >3F5L_1|Chains... at 100%
4qllRCSB PDB    PDBbind481aa, >4QLL_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3f5jRCSB PDB    PDBbindCTT
4qllRCSB PDB    PDBbindCTT
Entry Information
PDB ID4qlk
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namerice BGlu1 E176Q/Y341A mutant
Ligand NameCTT
EC.Number E.C.3.2.1.21
Resolution 1.83(Å)
Affinity (Kd/Ki/IC50)Ki=0.57mM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Protein Sci. Vol. 23: pp. 1738-1752
Ligand Properties
Formula C24H42O21
Molecular Weight 666.578
Exact Mass 666.222
No. of atoms 87
No. of bonds 90
Polar Surface Area 347.83
LOGP Value -9.02      (Computed with XLOGP3)
-9.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 24
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 4
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): Q75I93  
Entrez Gene IDNCBI Entrez Gene ID: 4333841  
ASDInformation of known allosteric effects of PDB entries
 
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