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PDBsum entry 1cso
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protein Protein-protein interface(s) links
Hydrolase/hydrolase inhibitor PDB id
1cso

 

 

 

 

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Contents
Protein chains
185 a.a. *
51 a.a. *
Waters ×109
* Residue conservation analysis
PDB id:
1cso
Name: Hydrolase/hydrolase inhibitor
Title: Crystal structure of the omtky3 p1 variant omtky3-ile18i in complex with sgpb
Structure: Proteinase b. Chain: e. Synonym: sgpb. Ovomucoid inhibitor. Chain: i. Fragment: third domain ile18-omtky3. Engineered: yes. Mutation: yes
Source: Streptomyces griseus. Organism_taxid: 1911. Strain: k1. Meleagris gallopavo. Turkey. Organism_taxid: 9103. Cell: egg. Expressed in: escherichia coli. Expression_system_taxid: 562.
Biol. unit: Dimer (from PQS)
Resolution:
1.90Å     R-factor:   0.199    
Authors: K.S.Bateman,S.Anderson,W.Lu,M.A.Qasim,M.Laskowski Jr.,M.N.G.James
Key ref: K.S.Bateman et al. (2000). Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB. Protein Sci, 9, 83-94. PubMed id: 10739250 DOI: 10.1110/ps.9.1.83
Date:
18-Aug-99     Release date:   12-Jan-00    
PROCHECK
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 Headers
 References

Protein chain
P00777  (PRTB_STRGR) -  Streptogrisin-B from Streptomyces griseus
Seq:
Struc: 		299 a.a.
185 a.a.*
Protein chain
P68390  (IOVO_MELGA) -  Ovomucoid from Meleagris gallopavo
Seq:
Struc: 		185 a.a.
51 a.a.*
Key:    Secondary structure  CATH domain
* PDB and UniProt seqs differ at 2 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: Chain E: E.C.3.4.21.81  - streptogrisin B.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Hydrolysis of proteins with specificity similar to trypsin.

 

 
DOI no: 10.1110/ps.9.1.83 Protein Sci 9:83-94 (2000)
PubMed id: 10739250  
 
 
Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
K.S.Bateman, S.Anderson, W.Lu, M.A.Qasim, M.Laskowski, M.N.James.
 
  ABSTRACT  
 
Turkey ovomucoid third domain (OMTKY3) is a canonical inhibitor of serine proteinases. Upon complex formation, the inhibitors fully exposed P1 residue becomes fully buried in the preformed cavity of the enzyme. All 20 P1 variants of OMTKY3 have been obtained by recombinant DNA technology and their equilibrium association constants have been measured with six serine proteinases. To rationalize the trends observed in this data set, high resolution crystal structures have been determined for OMTKY3 P1 variants in complex with the bacterial serine proteinase, Streptomyces griseus proteinase B (SGPB). Four high resolution complex structures are being reported in this paper; the three beta-branched variants, Ile18I, Val18I, and Thr18I, determined to 2.1, 1.6, and 1.7 A resolution, respectively, and the structure of the Ser18I variant complex, determined to 1.9 A resolution. Models of the Cys18I, Hse18I, and Ape18I variant complexes are also discussed. The beta-branched side chains are not complementary to the shape of the S1 binding pocket in SGPB, in contrast to that of the wild-type gamma-branched P1 residue for OMTKY3, Leu18I. Chi1 angles of approximately 40 degrees are imposed on the side chains of Ile18I, Val18I, and Thr18I within the S1 pocket. Dihedral angles of +60 degrees, -60 degrees, or 180 degrees are more commonly observed but 40 degrees is not unfavorable for the beta-branched side chains. Thr18I Ogamma1 also forms a hydrogen bond with Ser195 Ogamma in this orientation. The Ser18I side chain adopts two alternate conformations within the S1 pocket of SGPB, suggesting that the side chain is not stable in either conformation.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
20831336 B.Kim, J.Song, and X.Song (2010).
Calculations of the binding affinities of protein-protein complexes with the fast multipole method.
  J Chem Phys, 133, 095101.  
20800580 M.A.Qasim, J.Song, J.L.Markley, and M.Laskowski (2010).
Cleavage of peptide bonds bearing ionizable amino acids at P(1) by serine proteases with hydrophobic S(1) pocket.
  Biochem Biophys Res Commun, 400, 507-510.  
15858268 J.T.Maynes, M.M.Cherney, M.A.Qasim, M.Laskowski, and M.N.James (2005).
Structure of the subtilisin Carlsberg-OMTKY3 complex reveals two different ovomucoid conformations.
  Acta Crystallogr D Biol Crystallogr, 61, 580-588.
PDB code: 1yu6
11171964 S.M.Lu, W.Lu, M.A.Qasim, S.Anderson, I.Apostol, W.Ardelt, T.Bigler, Y.W.Chiang, J.Cook, M.N.James, I.Kato, C.Kelly, W.Kohr, T.Komiyama, T.Y.Lin, M.Ogawa, J.Otlewski, S.J.Park, S.Qasim, M.Ranjbar, M.Tashiro, N.Warne, H.Whatley, A.Wieczorek, M.Wieczorek, T.Wilusz, R.Wynn, W.Zhang, and M.Laskowski (2001).
Predicting the reactivity of proteins from their sequence alone: Kazal family of protein inhibitors of serine proteinases.
  Proc Natl Acad Sci U S A, 98, 1410-1415.  
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.

 

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