HEADER HYDROLASE(PHOSPHORIC DIESTER) 18-DEC-92 1KAB 1KAB 2 COMPND STAPHYLOCOCCAL NUCLEASE (E.C.3.1.33.1) MUTANT WITH LYS 1KABA 1 COMPND 2 116 REPLACED BY GLY (K116G) 1KAB 4 SOURCE (STAPHYLOCOCCUS AUREUS, STRAIN FOGGI) EXPRESSED IN 1KAB 5 SOURCE 2 (ESCHERICHIA COLI) 1KAB 6 AUTHOR A.HODEL,R.O.FOX 1KAB 7 REVDAT 2 08-MAR-95 1KABA 1 COMPND 1KABA 2 REVDAT 1 31-JAN-94 1KAB 0 1KAB 8 JRNL AUTH A.HODEL,R.A.KAUTZ,M.D.JACOBS,R.O.FOX 1KAB 9 JRNL TITL STRESS AND STRAIN IN STAPHYLOCOCCAL NUCLEASE 1KAB 10 JRNL REF PROTEIN SCI. V. 2 838 1993 1KAB 11 JRNL REFN ASTM US ISSN 0961-8368 795 1KAB 12 REMARK 1 1KAB 13 REMARK 2 1KAB 14 REMARK 2 RESOLUTION. 1.8 ANGSTROMS. 1KAB 15 REMARK 3 1KAB 16 REMARK 3 REFINEMENT. 1KAB 17 REMARK 3 PROGRAM X-PLOR 1KAB 18 REMARK 3 AUTHORS BRUNGER 1KAB 19 REMARK 3 R VALUE 0.188 1KAB 20 REMARK 3 RMSD BOND DISTANCES 0.013 ANGSTROMS 1KAB 21 REMARK 3 RMSD BOND ANGLES 2.7 DEGREES 1KAB 22 REMARK 3 1KAB 23 REMARK 3 NUMBER OF REFLECTIONS 14351 1KAB 24 REMARK 3 PERCENT COMPLETION 96. 1KAB 25 REMARK 3 1KAB 26 REMARK 3 NUMBER OF PROTEIN ATOMS 1087 1KAB 27 REMARK 3 NUMBER OF SOLVENT ATOMS 60 1KAB 28 REMARK 4 1KAB 29 REMARK 4 THE OCCUPANCY OF RESIDUES 112-117 IS SET AT 0.8. (SEE 1KAB 30 REMARK 4 JRNL ARTICLE). 1KAB 31 REMARK 5 1KABA 3 REMARK 5 CORRECTION. CORRECT E.C. NUMBER ON COMPND RECORD. 1KABA 4 REMARK 5 08-MAR-95. 1KABA 5 SEQRES 1 136 LYS LEU HIS LYS GLU PRO ALA THR LEU ILE LYS ALA ILE 1KAB 32 SEQRES 2 136 ASP GLY ASP THR VAL LYS LEU MET TYR LYS GLY GLN PRO 1KAB 33 SEQRES 3 136 MET THR PHE ARG LEU LEU LEU VAL ASP THR PRO GLU THR 1KAB 34 SEQRES 4 136 LYS HIS PRO LYS LYS GLY VAL GLU LYS TYR GLY PRO GLU 1KAB 35 SEQRES 5 136 ALA SER ALA PHE THR LYS LYS MET VAL GLU ASN ALA LYS 1KAB 36 SEQRES 6 136 LYS ILE GLU VAL GLU PHE ASP LYS GLY GLN ARG THR ASP 1KAB 37 SEQRES 7 136 LYS TYR GLY ARG GLY LEU ALA TYR ILE TYR ALA ASP GLY 1KAB 38 SEQRES 8 136 LYS MET VAL ASN GLU ALA LEU VAL ARG GLN GLY LEU ALA 1KAB 39 SEQRES 9 136 LYS VAL ALA TYR VAL TYR GLY PRO ASN ASN THR HIS GLU 1KAB 40 SEQRES 10 136 GLN HIS LEU ARG LYS SER GLU ALA GLN ALA LYS LYS GLU 1KAB 41 SEQRES 11 136 LYS LEU ASN ILE TRP SER 1KAB 42 FTNOTE 1 1KAB 43 FTNOTE 1 CIS PROLINE - PRO 117 1KAB 44 FORMUL 2 HOH *60(H2 O1) 1KAB 45 CRYST1 47.420 47.420 63.360 90.00 90.00 90.00 P 41 4 1KAB 46 ORIGX1 1.000000 0.000000 0.000000 0.00000 1KAB 47 ORIGX2 0.000000 1.000000 0.000000 0.00000 1KAB 48 ORIGX3 0.000000 0.000000 1.000000 0.00000 1KAB 49 SCALE1 0.021088 0.000000 0.000000 0.00000 1KAB 50 SCALE2 0.000000 0.021088 0.000000 0.00000 1KAB 51 SCALE3 0.000000 0.000000 0.015783 0.00000 1KAB 52