Browse entries in the PDBbind-CN Database

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Related entries of code: 5jna
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3f7bRCSB PDB    PDBbind266aa, >3F7B_1|Chains... *
3f7uRCSB PDB    PDBbind266aa, >3F7U_1|Chains... at 100%
3fw3RCSB PDB    PDBbind266aa, >3FW3_1|Chains... at 100%
5ku6RCSB PDB    PDBbind266aa, >5KU6_1|Chains... at 100%
5jncRCSB PDB    PDBbind266aa, >5JNC_1|Chains... at 100%
5jn9RCSB PDB    PDBbind266aa, >5JN9_1|Chains... at 100%
5jn8RCSB PDB    PDBbind266aa, >5JN8_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3hkuRCSB PDB    PDBbindTOR
3lxeRCSB PDB    PDBbindTOR

Entry Information
PDB ID5jna
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCarbonic anhydrase 4
Ligand NameTOR
EC.Number E.C.4.2.1.1
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=45nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Eur. Biophys. J. Vol. 47: pp. 271-290
Ligand Properties
Formula C12H21NO8S
Molecular Weight 339.362
Exact Mass 339.099
No. of atoms 43
No. of bonds 45
Polar Surface Area 123.92
LOGP Value -0.83      (Computed with XLOGP3)
1.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 9
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): P22748  
Entrez Gene IDNCBI Entrez Gene ID: 762  
ASDInformation of known allosteric effects of PDB entries

 
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