Browse entries in the PDBbind-CN Database

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Related entries of code: 5tt8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ygfRCSB PDB    PDBbind234aa, >4YGF_1|Chains... *
4yhaRCSB PDB    PDBbind234aa, >4YHA_1|Chains... at 100%
5tt3RCSB PDB    PDBbind234aa, >5TT3_1|Chains... at 100%
5tuoRCSB PDB    PDBbind234aa, >5TUO_1|Chains... at 100%
5tv3RCSB PDB    PDBbind234aa, >5TV3_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3d8wRCSB PDB    PDBbindD8W
3dbuRCSB PDB    PDBbindD8W

Entry Information
PDB ID5tt8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAlpha-carbonic anhydrase
Ligand NameD8W
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=315nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J. Med. Chem. Vol. 59: pp. 11098-11109
Ligand Properties
Formula C8H8N4O4S3
Molecular Weight 320.369
Exact Mass 319.971
No. of atoms 27
No. of bonds 28
Polar Surface Area 177.11
LOGP Value 0.12      (Computed with XLOGP3)
2.92      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
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): A0A0M3KL20  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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