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PDBsum entry 1cps

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protein ligands metals links
HydrolasE(C-terminal peptidase) PDB id
1cps
Jmol
Contents
Protein chain
307 a.a. *
Ligands
CPM
Metals
_ZN
Waters ×122
* Residue conservation analysis
PDB id:
1cps
Name: HydrolasE(C-terminal peptidase)
Title: Structural comparison of sulfodiimine and sulfonamide inhibitors in their complexes with zinc enzymes
Structure: Carboxypeptidase a. Chain: a. Engineered: yes
Source: Bos taurus. Cattle. Organism_taxid: 9913
Resolution:
2.25Å     R-factor:   0.174    
Authors: A.M.Cappalonga,R.S.Alexander,D.W.Christianson
Key ref: A.M.Cappalonga et al. (1992). Structural comparison of sulfodiimine and sulfonamide inhibitors in their complexes with zinc enzymes. J Biol Chem, 267, 19192-19197. PubMed id: 1527041
Date:
18-Feb-92     Release date:   31-Oct-93    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P00730  (CBPA1_BOVIN) -  Carboxypeptidase A1
Seq:
Struc:
419 a.a.
307 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 7 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: E.C.3.4.17.1  - Carboxypeptidase A.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Peptidyl-L-amino acid + H2O = peptide + L-amino acid

+
=
+
      Cofactor: Zn(2+)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     proteolysis   1 term 
  Biochemical function     zinc ion binding     2 terms  

 

 
    Added reference    
 
 
J Biol Chem 267:19192-19197 (1992)
PubMed id: 1527041  
 
 
Structural comparison of sulfodiimine and sulfonamide inhibitors in their complexes with zinc enzymes.
A.M.Cappalonga, R.S.Alexander, D.W.Christianson.
 
  ABSTRACT  
 
The three-dimensional structure of (L(-)-2-carboxy-3-phenylpropyl) methylsulfodiimine in its complex with the zinc metalloenzyme carboxypeptidase A has been determined at 2.25-A resolution by x-ray crystallographic methods. This is the first example of a sulfodiimine-containing inhibitor binding to a zinc enzyme, and the structure of the enzyme-inhibitor complex reveals that the tetrahedral sulfodiimine group coordinates to the active site zinc ion in unidentate fashion. The zinc-coordinated nitrogen atom of the sulfodiimine group is also within hydrogen bonding distance to active site base Glu-270; presumably, the sulfodiimine is ionized and accepts a hydrogen bond from protonated Glu-270. The other sulfodiimine nitrogen accepts a hydrogen bond from Arg-127, and the inhibitor binds as a possible analogue of the tetrahedral transition state (or intermediate) in a promoted water pathway for peptide hydrolysis. The unidentate sulfodiimine-zinc binding mode observed in this enzyme-inhibitor complex is reminiscent of that observed in sulfonamide complexes with the zinc metalloenzyme carbonic anhydrase II, and the structural features of sulfodiimine- and sulfonamide-zinc interactions exhibit important similarities among recently determined structures of enzyme-inhibitor complexes: ionized nitrogens bind to zinc in each structure, and these nitrogens are engaged in hydrogen bond interactions with neighboring enzyme residues.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
10955996 D.M.van Aalten, C.R.Chong, and L.Joshua-Tor (2000).
Crystal structure of carboxypeptidase A complexed with D-cysteine at 1.75 A - inhibitor-induced conformational changes.
  Biochemistry, 39, 10082-10089.
PDB code: 1f57
  8976552 R.A.Laskowski, N.M.Luscombe, M.B.Swindells, and J.M.Thornton (1996).
Protein clefts in molecular recognition and function.
  Protein Sci, 5, 2438-2452.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB code is shown on the right.