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PDBsum entry 1tio
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Hydrolase PDB id
1tio

 

 

 

 

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Contents
Protein chain
223 a.a. *
Ligands
SO4 ×6
BEN ×2
CHX
Metals
_CA
Waters ×174
* Residue conservation analysis
PDB id:
1tio
Name: Hydrolase
Title: High packing density form of bovine beta-trypsin in cyclohexane
Structure: Protein (beta-trypsin). Chain: a. Ec: 3.4.21.4
Source: Bos taurus. Cattle. Organism_taxid: 9913
Resolution:
1.93Å     R-factor:   0.185     R-free:   0.232
Authors: Q.Huang,G.Zhu,Z.Wang,Q.Tang
Key ref: G.Zhu et al. (1998). X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane. Biochim Biophys Acta, 1429, 142-150. PubMed id: 9920392 DOI: 10.1016/S0167-4838(98)00226-X
Date:
17-Sep-98     Release date:   23-Sep-98    
PROCHECK
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 Headers
 References

Protein chain
Pfam   ArchSchema ?
P00760  (TRY1_BOVIN) -  Serine protease 1 from Bos taurus
Seq:
Struc: 		246 a.a.
223 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.3.4.21.4  - trypsin.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Preferential cleavage: Arg-|-Xaa, Lys-|-Xaa.

 

 
DOI no: 10.1016/S0167-4838(98)00226-X Biochim Biophys Acta 1429:142-150 (1998)
PubMed id: 9920392  
 
 
X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane.
G.Zhu, Q.Huang, Z.Wang, M.Qian, Y.Jia, Y.Tang.
 
  ABSTRACT  
 
Two orthorhombic forms (Vm values are 2.3 and 3.0 A3/Da) of bovine beta-trypsin crystals in neat cyclohexane were determined to 1.93 A resolution, by X-ray diffraction. Both structures in organic solvent are similar to those in aqueous solution. In the high packing density form, one cyclohexane molecule is found in a hydrophobic site near the active center. One sulfate locates at the active site with hydrogen or salt bond to the Ser-His catalytic diad, and five more sulfates bind on the molecular surface. The conformation of the side chains near the sulfates changed greatly. In the low packing density form, one cyclohexane and three sulfates are found. In both structures, one benzamidine molecule locates at the hydrophobic pocket of the active center. Most water molecules on the enzyme surface are retained except some with high temperature factors.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
12609866 C.M.Soares, V.H.Teixeira, and A.M.Baptista (2003).
Protein structure and dynamics in nonaqueous solvents: insights from molecular dynamics simulation studies.
  Biophys J, 84, 1628-1641.  
11257512 G.Zhu, Q.Huang, Y.Zhu, Y.Li, C.Chi, and Y.Tang (2001).
X-Ray study on an artificial mung bean inhibitor complex with bovine beta-trypsin in neat cyclohexane.
  Biochim Biophys Acta, 1546, 98.
PDB code: 1g9i
11342057 V.V.Gorbatchuk, M.A.Ziganshin, N.A.Mironov, and B.N.Solomonov (2001).
Homotropic cooperative binding of organic solvent vapors by solid trypsin.
  Biochim Biophys Acta, 1545, 326-338.  
10679379 P.J.Halling (2000).
Biocatalysis in low-water media: understanding effects of reaction conditions.
  Curr Opin Chem Biol, 4, 74-80.  
10665832 G.K.Farber (1999).
New approaches to rational drug design.
  Pharmacol Ther, 84, 327-332.  
10468562 X.G.Gao, E.Maldonado, R.Pérez-Montfort, G.Garza-Ramos, M.T.de Gómez-Puyou, A.Gómez-Puyou, and A.Rodríguez-Romero (1999).
Crystal structure of triosephosphate isomerase from Trypanosoma cruzi in hexane.
  Proc Natl Acad Sci U S A, 96, 10062-10067.
PDB code: 1ci1
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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