Browse entries in the PDBbind-CN Database

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Related entries of code: 4qjx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3czvRCSB PDB    PDBbind264aa, >3CZV_1|Chains... *
4hu1RCSB PDB    PDBbind263aa, >4HU1_1|Chains... at 99%
4knmRCSB PDB    PDBbind263aa, >4KNM_1|Chains... at 99%
4knnRCSB PDB    PDBbind263aa, >4KNN_1|Chains... at 99%
4qizRCSB PDB    PDBbind263aa, >4QIZ_1|Chains... at 99%
4qjpRCSB PDB    PDBbind263aa, >4QJP_1|Chains... at 99%
5e2nRCSB PDB    PDBbind263aa, >5E2N_1|Chains... at 99%
5llaRCSB PDB    PDBbind263aa, >5LLA_1|Chains... at 99%
6g5uRCSB PDB    PDBbind263aa, >6G5U_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4qjwRCSB PDB    PDBbindWWO
4qtlRCSB PDB    PDBbindWWO
5eheRCSB PDB    PDBbindWWO
Entry Information
PDB ID4qjx
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman carbonic anhydrase isozyme XIII
Ligand NameWWO
EC.Number E.C.4.2.1.1
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Kd=52nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Chemmedchem Vol. 10: pp. 662-687
Ligand Properties
Formula C15H15F3N2O5S2
Molecular Weight 424.415
Exact Mass 424.037
No. of atoms 42
No. of bonds 43
Polar Surface Area 143.32
LOGP Value 1.37      (Computed with XLOGP3)
4.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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): Q8N1Q1  
Entrez Gene IDNCBI Entrez Gene ID: 377677  
ASDInformation of known allosteric effects of PDB entries
 
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