Browse entries in the PDBbind-CN Database

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Related entries of code: 4knn
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%
4qizRCSB PDB    PDBbind263aa, >4QIZ_1|Chains... at 99%
4qjpRCSB PDB    PDBbind263aa, >4QJP_1|Chains... at 99%
4qjxRCSB PDB    PDBbind263aa, >4QJX_1|Chain... 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
4knjRCSB PDB    PDBbindE1F
4kp5RCSB PDB    PDBbindE1F

Entry Information
PDB ID4knn
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCarbonic anhydrase 13
Ligand NameE1F
EC.Number E.C.4.2.1.1
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=16.7nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg.Med.Chem. Vol. 21: pp. 6937-6947
Ligand Properties
Formula C12H10ClN3O3S2
Molecular Weight 343.809
Exact Mass 342.985
No. of atoms 31
No. of bonds 32
Polar Surface Area 136.69
LOGP Value 1.65      (Computed with XLOGP3)
3.53      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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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