NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	in_recoord	stage	program	type
	8185	1lsi	4159	cing	recoord	1-original	MR format	comment

*HEADER   NEUROTOXIN                              26-NOV-95   1LSI    
*TITLE    LSIII (NMR, 23 STRUCTURES)                                  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: LSIII;                                           
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: LONG NEUROTOXIN 1 (COMPONENT LSIII)               
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: LATICAUDA SEMIFASCIATA;               
*SOURCE  3 ORGANISM_COMMON: SEA SNAKE                                 
*KEYWDS   VENOM, MULTIGENE FAMILY                                     
*EXPDTA   NMR, 23 STRUCTURES                                          
*AUTHOR   P.J.CONNOLLY,A.S.STERN,J.C.HOCH                             
*REVDAT  1   15-MAR-96 1LSI    0                                      

REMARK    REFERENCE
REMARK    CONNOLLY,P.C.,STERN,A.S.,HOCH,J.C (1995) SOLUTION STRUCTURE OF LSIII, 
REMARK    A LONG NEUROTOXIN FROM THE VENOM OF LATICAUDA SEMIFAASCIATA.  
REMARK    BIOCHEMISTRY SUBMITTED
REMARK
REMARK    DETAILS OF THE STRUCTURE DETERMINATION ARE GIVEN IN THE ABOVE REFERENCE.
REMARK
REMARK    THE STRUCTURES ARE BASED ON 497 DISTANCE CONSTRAINTS DERIVED FROM NOE
REMARK    MEASUREMENTS AND 45 ANGLE CONSTRAINTS DERIVED FROM NOE AND COUPLING
REMARK    CONSTANT MEASUREMENTS.
REMARK    STRUCTURES WERE DETERMINED USING A DYNAMICAL SIMULATED ANNEALING
REMARK    METHOD SIMILIAR TO NILGES ET AL. (NILGES,M.,CLORE,G.M.,GRONENBORN
REMARK    A.M. (1988) FEBS LETT. 229, 317-324) WITH STARTING STRUCTURES GENERATED
REMARK    BY DYNAMICAL SIMULATED ANNEALING OF A REDUCED REPRESENTATION OF
REMARK    PROTEIN STRUCTURE. (HOCH,J.C.,STERN,A.S. (1992) J.BIOMOL.NMR 2, 
REMARK    535-543)
REMARK
REMARK    NOE RESTRAINTS
REMARK
REMARK    UPPER BOUNDS FOR INTERPROTON DISTANCES WERE DERIVED FROM NOE CROSSPEAK
REMARK    VOLUMES USING THE PROGRAM CALIBA (GUNTERT,P.,BRAUN,W.,WUTRICH,K. (1991)
REMARK    J.MOL.BIOL. 317, 517-530). 0.5 ANGSTROMS WAS ADDED TO THE UPPER 
REMARK    DISTANCE BOUNDS OF METHYL GROUPS. UPPER LIMITS FOR PHE,TYR,METHYL
REMARK    AND METHYLENE PROTONS WERE ADJUSTED TO ACCOUNT FOR CENTER AVERAGING
REMARK    AS DESCRIBED IN THE LITERATURE (WUTRICH,K.,BILLETER,M.,BRAUN,W. (1983)
REMARK    J.MOL.BIOL. 169, 949-961).
REMARK
REMARK    THE UPPER AND LOWER LIMITS FOR THE INTERPROTON RESTRAINTS ARE GIVEN BY
REMARK    UPPER=I+K AND LOWER=I-J WHERE THE NUMBERS ARE IN THE ORDER I,J,K.


classification STRG

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