Crystalline IL-6 and models of the molecular structure of IL-6

Abstract

Crystallographic and NMR solution structures of human IL-6 are reported. The invention provides models and systems incorporating such structures which are useful for identifying IL-6/IL-6 receptor interactions and for identification of agonists and antagonists of such interactions. Crystalline human IL-6 is also provided.

What is claimed is:  
     
         36 . A computer system comprising computer hardware and a model of the structure of IL-6, wherein the model comprises a data set embodying the structure of IL-6 as provided in Tables 1 to 5.  
     
     
         37 . The computer system of  claim 36  wherein said data set was determined by crystallographic analysis of IL-6.  
     
     
         38 . The computer system of  claim 36  wherein said data set was determined by NMR analysis of IL-6.  
     
     
         39 . The computer system of  claim 36  wherein said data set embodies the entire structure of IL-6.  
     
     
         40 . The computer system of  claim 36  wherein said data set embodies a portion of the structure of IL-6.  
     
     
         41 . The computer system of  claim 40  wherein said portion is the active site of IL-6.  
     
     
         42 . The computer system of  claim 40  wherein said portion is an epitope or binding domain of IL-6.  
     
     
         43 . A method of identifying a species which is an agonist or antagonist of IL-6 activity or binding comprising: 
 (a) providing a computer system comprising computer hardware and a model of the structure of IL-6, wherein the model comprises a data set embodying the structure of IL-6 as provided in Tables 1 to 5;    (b) studying interaction of candidate species with the model of the structure of IL-6 of said computer system; and    (c) selecting a species which is predicted to act as said agonist or antagonist.    
     
     
         44 . A species identified in accordance with the method of  claim 43 .  
     
     
         45 . A process of identifying a substance that inhibits IL-6 activity or binding comprising: 
 (a) providing a computer system comprising computer hardware and a model of the structure of IL-6, wherein the model comprises a data set embodying the structure of IL-6 as provided in Tables 1 to 5;    (b) determining interaction between a candidate substance and a model of the structure of IL-6 using the computer system; and    (c) selecting a substance that inhibits IL-6 activity or binding from the interaction.    
     
     
         46 . A process of identifying a substance that mimics IL-6 activity or binding comprising: 
 (a) providing a computer system comprising computer hardware and a model of the structure of IL-6, wherein the model comprises a data set embodying the structure of IL-6 as provided in Tables 1 to 5;    (b) determining interaction between a candidate substance and a model of the structure of IL-6 using the computer system; and    (c) selecting a substance that mimics IL-6 activity or binding from the interaction.