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Related entries of code: 2it4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1azmRCSB PDB    PDBbind260aa, >1azm_A... *
2foyRCSB PDB    PDBbind260aa, >2foy_B... at 100%
2nmxRCSB PDB    PDBbind260aa, >2nmx_B... at 100%
2nn1RCSB PDB    PDBbind260aa, >2nn1_B... at 100%
2nn7RCSB PDB    PDBbind260aa, >2nn7_B... at 100%
3lxeRCSB PDB    PDBbind260aa, >3lxe_B... at 100%
4wr7RCSB PDB    PDBbind260aa, >4wr7_B... at 99%
4wupRCSB PDB    PDBbind260aa, >4wup_B... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1nkiRCSB PDB    PDBbindPPF
2rk8RCSB PDB    PDBbindPPF
3t01RCSB PDB    PDBbindPPF

Entry Information
PDB ID2it4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCarbonic anhydrase 1
Ligand NamePPF
EC.Number E.C.4.2.1.1
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=24.1mM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary ReferenceBioorg. Med. Chem. Lett. 2007, 17, 2210-2215.
Ligand Properties
Formula CH4O5P
Molecular Weight 127.013
Exact Mass 126.980
No. of atoms 11
No. of bonds 10
Polar Surface Area 111.58
LOGP Value -1.26      (Computed with XLOGP3)
-0.60      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 0
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): P00915  
Entrez Gene IDNCBI Entrez Gene ID: 759  
ASDInformation of known allosteric effects of PDB entries

 
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