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Related entries of code: 5e2m
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1azmRCSB PDB    PDBbind260aa, >1AZM_1|Chain... at 100%
2foyRCSB PDB    PDBbind260aa, >2FOY_1|Chains... at 100%
2it4RCSB PDB    PDBbind256aa, >2IT4_1|Chains... at 100%
2nmxRCSB PDB    PDBbind260aa, >2NMX_1|Chains... at 100%
2nn1RCSB PDB    PDBbind260aa, >2NN1_1|Chains... at 100%
2nn7RCSB PDB    PDBbind260aa, >2NN7_1|Chains... at 100%
3lxeRCSB PDB    PDBbind260aa, >3LXE_1|Chains... at 100%
4wr7RCSB PDB    PDBbind260aa, >4WR7_1|Chains... at 99%
4wupRCSB PDB    PDBbind260aa, >4WUP_1|Chains... at 99%
5gmmRCSB PDB    PDBbind261aa, >5GMM_1|Chains... *
6evrRCSB PDB    PDBbind261aa, >6EVR_1|Chains... at 100%
6ex1RCSB PDB    PDBbind261aa, >6EX1_1|Chains... at 100%
6f3bRCSB PDB    PDBbind261aa, >6F3B_1|Chains... at 100%
6fafRCSB PDB    PDBbind261aa, >6FAF_1|Chains... at 100%
6g3vRCSB PDB    PDBbind261aa, >6G3V_1|Chains... at 100%
6hwzRCSB PDB    PDBbind261aa, >6HWZ_1|Chains... at 100%
6fagRCSB PDB    PDBbind261aa, >6FAG_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4pyyRCSB PDB    PDBbindV14
4q07RCSB PDB    PDBbindV14
4q09RCSB PDB    PDBbindV14
4q0lRCSB PDB    PDBbindV14
5e2nRCSB PDB    PDBbindV14
6fe1RCSB PDB    PDBbindV14
6ql3RCSB PDB    PDBbindV14
Entry Information
PDB ID5e2m
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCarbonic anhydrase 1
Ligand NameV14
EC.Number E.C.-.-.-.-
Resolution 1.41(Å)
Affinity (Kd/Ki/IC50)Kd=59nM
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): P00915  
Entrez Gene IDNCBI Entrez Gene ID: 759  
ASDInformation of known allosteric effects of PDB entries
 
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