Browse entries in the PDBbind-CN Database

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Related entries of code: 6fe0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5fl4RCSB PDB    PDBbind257aa, >5FL4_1|Chains... *
5fl5RCSB PDB    PDBbind257aa, >5FL5_1|Chains... at 100%
5fl6RCSB PDB    PDBbind257aa, >5FL6_1|Chains... at 100%
6fe1RCSB PDB    PDBbind257aa, >6FE1_1|Chains... at 100%
6g98RCSB PDB    PDBbind257aa, >6G98_1|Chains... at 100%
6g9uRCSB PDB    PDBbind257aa, >6G9U_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4pyxRCSB PDB    PDBbindV90
4q06RCSB PDB    PDBbindV90
4q08RCSB PDB    PDBbindV90
Entry Information
PDB ID6fe0
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCarbonic anhydrase 9
Ligand NameV90
EC.Number E.C.-.-.-.-
Resolution 1.91(Å)
Affinity (Kd/Ki/IC50)Kd=330nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Oncotarget Vol. 9: pp. 26800-26816
Ligand Properties
Formula C16H23F3N2O3S2
Molecular Weight 412.491
Exact Mass 412.110
No. of atoms 49
No. of bonds 50
Polar Surface Area 126.1
LOGP Value 4.04      (Computed with XLOGP3)
5.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
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): Q16790  
Entrez Gene IDNCBI Entrez Gene ID: 768  
ASDInformation of known allosteric effects of PDB entries
 
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