HEADER SEED STORAGE PROTEIN 08-JUL-93 1CAU COMPND CANAVALIN (JACK BEAN 7S VICILIN) SOURCE JACK BEAN PLANT (CANAVALIA ENSIFORMIS) AUTHOR T-*P.KO,J.D.NG,J.DAY,A.GREENWOOD,A.MC*PHERSON REVDAT 1 31-OCT-93 1CAU 0 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.-*P.KO,J.D.NG,J.DAY,A.GREENWOOD,A.MC*PHERSON REMARK 1 TITL DETERMINATION OF THREE CRYSTAL STRUCTURES OF REMARK 1 TITL 2 CANAVALIN BY MOLECULAR REPLACEMENT REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN 353 REMARK 1 REFERENCE 2 REMARK 1 AUTH T-*P.KO,J.D.NG,J.DAY,A.MC*PHERSON REMARK 1 TITL THE THREE-DIMENSIONAL STRUCTURE OF CANAVALIN REMARK 1 TITL 2 FROM JACK BEAN (CANAVALIA ENSIFORMIS) REMARK 1 REF PLANT PHYSIOL. V. 101 729 1993 REMARK 1 REFN ASTM PLPHAY US ISSN 0032-0889 765 REMARK 2 REMARK 2 RESOLUTION. 2.3 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM TNT REMARK 3 AUTHORS TRONRUD,TEN EYCK,MATTHEWS REMARK 3 R VALUE 0.192 REMARK 3 RMSD BOND DISTANCES 0.020 ANGSTROMS REMARK 3 RMSD BOND ANGLES 3.04 DEGREES REMARK 3 REMARK 3 NUMBER OF REFLECTIONS 14221 REMARK 3 RESOLUTION RANGE 8.0 - 2.3 ANGSTROMS REMARK 3 DATA CUTOFF 3.0 SIGMA(I) REMARK 4 REMARK 4 THE MOLECULE COMPRISING THE ASYMMETRIC UNIT OF THE CRYSTAL REMARK 4 WAS A PROTEOLYTICALLY MODIFIED FORM OF THE NATURALLY REMARK 4 OCCURRING SEED STORAGE PROTEIN AND IT HAD EXPERIENCED REMARK 4 EXTENDED EXPOSURE TO TRYPSIN. IN INTERPRETING THE ELECTRON REMARK 4 DENSITY MAPS, THEREFORE, THE DEPOSITORS COULD NOT BE REMARK 4 CERTAIN PRECISELY WHERE THE PRIMARY CLEAVAGE SITES IN THE REMARK 4 CRYSTAL OCCURRED. FURTHERMORE, THEY DID NOT KNOW IF THERE REMARK 4 MIGHT BE SOME EXCISION OF AMINO ACIDS AT EITHER THE REMARK 4 NATURAL TERMINI OR AT SECONDARY TERMINI CREATED BY REMARK 4 CLEAVAGES. THIS ENTRY PRESENTS RESIDUES 44 - 224 AS CHAIN REMARK 4 *A* AND RESIDUES 241 - 424 AS CHAIN *B*. FOR FURTHER REMARK 4 DISCUSSION CONSULT THE PLANT PHYSIOLOGY PUBLICATION LISTED REMARK 4 ABOVE. REMARK 5 REMARK 5 NO SOLVENT WAS INCLUDED IN THE REFINEMENT. SEQRES 1 A 181 ALA GLN ASN ASN PRO TYR LEU PHE ARG SER ASN LYS PHE SEQRES 2 A 181 LEU THR LEU PHE LYS ASN GLN HIS GLY SER LEU ARG LEU SEQRES 3 A 181 LEU GLN ARG PHE ASN GLU ASP THR GLU LYS LEU GLU ASN SEQRES 4 A 181 LEU ARG ASP TYR ARG VAL LEU GLU TYR CYS SER LYS PRO SEQRES 5 A 181 ASN THR LEU LEU LEU PRO HIS HIS SER ASP SER ASP LEU SEQRES 6 A 181 LEU VAL LEU VAL LEU GLU GLY GLN ALA ILE LEU VAL LEU SEQRES 7 A 181 VAL ASN PRO ASP GLY ARG ASP THR TYR LYS LEU ASP GLN SEQRES 8 A 181 GLY ASP ALA ILE LYS ILE GLN ALA GLY THR PRO PHE TYR SEQRES 9 A 181 LEU ILE ASN PRO ASP ASN ASN GLN ASN LEU ARG ILE LEU SEQRES 10 A 181 LYS PHE ALA ILE THR PHE ARG ARG PRO GLY THR VAL GLU SEQRES 11 A 181 ASP PHE PHE LEU SER SER THR LYS ARG LEU PRO SER TYR SEQRES 12 A 181 LEU SER ALA PHE SER LYS ASN PHE LEU GLU ALA SER TYR SEQRES 13 A 181 ASP SER PRO TYR ASP GLU ILE GLU GLN THR LEU LEU GLN SEQRES 14 A 181 GLU GLU GLN GLU GLY VAL ILE VAL LYS MET PRO LYS SEQRES 1 B 184 THR LEU SER SER GLN ASP LYS PRO PHE ASN LEU ARG SER SEQRES 2 B 184 ARG ASP PRO ILE TYR SER ASN ASN TYR GLY LYS LEU TYR SEQRES 3 B 184 GLU ILE THR PRO GLU LYS ASN SER GLN LEU ARG ASP LEU SEQRES 4 B 184 ASP ILE LEU LEU ASN CYS LEU GLN MET ASN GLU GLY ALA SEQRES 5 B 184 LEU PHE VAL PRO HIS TYR ASN SER ARG ALA THR VAL ILE SEQRES 6 B 184 LEU VAL ALA ASN GLU GLY ARG ALA GLU VAL GLU LEU VAL SEQRES 7 B 184 GLY LEU GLU GLN GLN GLN GLN GLN GLY LEU GLU SER MET SEQRES 8 B 184 GLN LEU ARG ARG TYR ALA ALA THR LEU SER GLU GLY ASP SEQRES 9 B 184 ILE ILE VAL ILE PRO SER SER PHE PRO VAL ALA LEU LYS SEQRES 10 B 184 ALA ALA SER ASP LEU ASN MET VAL GLY ILE GLY VAL ASN SEQRES 11 B 184 ALA GLU ASN ASN GLU ARG ASN PHE LEU ALA GLY HIS LYS SEQRES 12 B 184 GLU ASN VAL ILE ARG GLN ILE PRO ARG GLN VAL SER ASP SEQRES 13 B 184 LEU THR PHE PRO GLY SER GLY GLU GLU VAL GLU GLU LEU SEQRES 14 B 184 LEU GLU ASN GLN LYS GLU SER TYR PHE VAL ASP GLY GLN SEQRES 15 B 184 PRO ARG CRYST1 106.000 106.000 106.000 90.00 90.00 90.00 P 21 3 12 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.009434 0.000000 0.000000 0.00000 SCALE2 0.000000 0.009434 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009434 0.00000