Related entries of code: 2nn1
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%
2it4RCSB PDB    PDBbind256aa, >2it4_B... at 100%
2nmxRCSB PDB    PDBbind260aa, >2nmx_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
2nnoRCSB PDB    PDBbindM28

Entry Information
PDB ID2nn1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCarbonic anhydrase 1
Ligand NameM28
EC.Number E.C.4.2.1.1
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Kd=1.5uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary ReferenceJ. Am. Chem. Soc. 2007, 129, 5528-5537.
Ligand Properties
Formula C9H11NO4S
Molecular Weight 229.253
Exact Mass 229.041
No. of atoms 26
No. of bonds 26
Polar Surface Area 105.84
LOGP Value 1.15      (Computed with XLOGP3)
2.13      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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
ASDInformation of known allosteric effects of PDB entries

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