Browse entries in the PDBbind-CN Database

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Related entries of code: 3f7u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3f7bRCSB PDB    PDBbind266aa, >3F7B_1|Chains... *
3fw3RCSB PDB    PDBbind266aa, >3FW3_1|Chains... at 100%
5ku6RCSB PDB    PDBbind266aa, >5KU6_1|Chains... at 100%
5jncRCSB PDB    PDBbind266aa, >5JNC_1|Chains... at 100%
5jnaRCSB PDB    PDBbind266aa, >5JNA_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
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3f7u
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namesoluble domain of Carbonic anhydrase 4
Ligand NameAG4
EC.Number E.C.
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=246nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Bioorg.Med.Chem. Vol. 18: pp. 3307-3319
Ligand Properties
Formula C16H19N3O4S2
Molecular Weight 381.470
Exact Mass 381.082
No. of atoms 44
No. of bonds 45
Polar Surface Area 145.06
LOGP Value 1.31      (Computed with XLOGP3)
3.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
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): P22748  
Entrez Gene IDNCBI Entrez Gene ID: 762  
ASDInformation of known allosteric effects of PDB entries

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