Browse entries in the PDBbind-CN Database

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Related entries of code: 4yha
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ygfRCSB PDB    PDBbind234aa, >4YGF_1|Chains... *
5tt3RCSB PDB    PDBbind234aa, >5TT3_1|Chains... at 100%
5tt8RCSB PDB    PDBbind234aa, >5TT8_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
3dazRCSB PDB    PDBbindMZM
3dcsRCSB PDB    PDBbindMZM
5ku6RCSB PDB    PDBbindMZM

Entry Information
PDB ID4yha
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHelicobacter pylori alpha-Carbonic Anhydrase
Ligand NameMZM
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=225nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Plos One Vol. 10: pp. 1-13
Ligand Properties
Formula C5H9N4O3S2
Molecular Weight 237.280
Exact Mass 237.012
No. of atoms 23
No. of bonds 23
Polar Surface Area 143.7
LOGP Value -0.52      (Computed with XLOGP3)
1.22      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 1
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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