Browse entries in the PDBbind-CN Database

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Related entries of code: 5e2n
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%
4qjxRCSB PDB    PDBbind263aa, >4QJX_1|Chain... 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
4pyyRCSB PDB    PDBbindV14
4q07RCSB PDB    PDBbindV14
4q09RCSB PDB    PDBbindV14
4q0lRCSB PDB    PDBbindV14
5e2mRCSB PDB    PDBbindV14
6fe1RCSB PDB    PDBbindV14
6ql3RCSB PDB    PDBbindV14
Entry Information
PDB ID5e2n
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCarbonic anhydrase 13
Ligand NameV14
EC.Number E.C.-.-.-.-
Resolution 1.53(Å)
Affinity (Kd/Ki/IC50)Kd=0.29nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ChemMedChem Vol. 12: pp. 161-176
Ligand Properties
Formula C16H23F3N2O5S2
Molecular Weight 444.489
Exact Mass 444.100
No. of atoms 51
No. of bonds 52
Polar Surface Area 143.32
LOGP Value 2.77      (Computed with XLOGP3)
4.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
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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