Browse entries in the PDBbind-CN Database

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Related entries of code: 4qj0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jd0RCSB PDB    PDBbind263aa, >1JD0_1|Chains... *
4ht2RCSB PDB    PDBbind263aa, >4HT2_1|Chains... at 99%
4kp5RCSB PDB    PDBbind263aa, >4KP5_1|Chains... at 99%
4kp8RCSB PDB    PDBbind263aa, >4KP8_1|Chains... at 99%
4q0lRCSB PDB    PDBbind263aa, >4Q0L_1|Chains... at 99%
4qjoRCSB PDB    PDBbind263aa, >4QJO_1|Chains... at 99%
4qjwRCSB PDB    PDBbind263aa, >4QJW_1|Chains... at 99%
4ww8RCSB PDB    PDBbind263aa, >4WW8_1|Chains... at 99%
5ll5RCSB PDB    PDBbind263aa, >5LL5_1|Chains... at 99%
5ll9RCSB PDB    PDBbind263aa, >5LL9_1|Chains... at 99%
5lloRCSB PDB    PDBbind263aa, >5LLO_1|Chains... at 99%
5llpRCSB PDB    PDBbind263aa, >5LLP_1|Chains... at 99%
5msbRCSB PDB    PDBbind263aa, >5MSB_1|Chains... at 99%
6g7aRCSB PDB    PDBbind263aa, >6G7A_1|Chains... at 99%
6g5lRCSB PDB    PDBbind263aa, >6G5L_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4qiyRCSB PDB    PDBbindWWX
4qizRCSB PDB    PDBbindWWX
Entry Information
PDB ID4qj0
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman carbonic anhydrase isozyme XII
Ligand NameWWX
EC.Number E.C.4.2.1.1
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)Kd=48nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Chemmedchem Vol. 10: pp. 662-687
Ligand Properties
Formula C22H21F3N2O6S2
Molecular Weight 530.537
Exact Mass 530.079
No. of atoms 56
No. of bonds 58
Polar Surface Area 163.55
LOGP Value 2.25      (Computed with XLOGP3)
5.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 8
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): O43570  
Entrez Gene IDNCBI Entrez Gene ID: 771  
ASDInformation of known allosteric effects of PDB entries
 
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