HEADER CALCIUM-BINDING PROTEIN 23-JAN-93 1CLM 1CLM 2 COMPND CALMODULIN (PARAMECIUM TETRAURELIA) (WILD TYPE) 1CLM 3 SOURCE (PARAMECIUM TETRAURELIA) 1CLM 4 AUTHOR M.SUNDARALINGAM 1CLM 5 REVDAT 2 15-JAN-95 1CLMA 1 SEQRES 1CLMA 1 REVDAT 1 31-OCT-93 1CLM 0 1CLM 6 JRNL AUTH S.T.RAO,S.WU,K.A.SATYSHUR,K.-Y.LING,C.KUNG, 1CLM 7 JRNL AUTH 2 M.SUNDARALINGAM 1CLM 8 JRNL TITL STRUCTURE OF PARAMECIUM TETRAURELIA CALMODULIN AT 1CLM 9 JRNL TITL 2 1.8 ANGSTROMS RESOLUTION 1CLM 10 JRNL REF PROTEIN SCI. V. 2 436 1993 1CLM 11 JRNL REFN US ISSN 0961-8368 795 1CLM 12 REMARK 1 1CLM 13 REMARK 2 1CLM 14 REMARK 2 RESOLUTION. 1.8 ANGSTROMS. 1CLM 15 REMARK 3 1CLM 16 REMARK 3 REFINEMENT. 1CLM 17 REMARK 3 PROGRAM X-PLOR 1CLM 18 REMARK 3 AUTHORS BRUNGER 1CLM 19 REMARK 3 R VALUE 0.210 1CLM 20 REMARK 3 RMSD BOND DISTANCES 0.016 ANGSTROMS 1CLM 21 REMARK 3 RMSD BOND ANGLES 3.0 DEGREES 1CLM 22 REMARK 3 1CLM 23 REMARK 3 NUMBER OF REFLECTIONS 11458 1CLM 24 REMARK 3 DATA CUTOFF 3.0 SIGMA(F) 1CLM 25 REMARK 4 1CLM 26 REMARK 4 IN THE COORDINATE FILE THE RESIDUES ARE: 1CLM 27 REMARK 4 PROTEIN ATOMS 4 - 147 1CLM 28 REMARK 4 CALCIUM IONS 149 - 152 1CLM 29 REMARK 4 WATERS 153 - 223 1CLM 30 REMARK 5 1CLMA 2 REMARK 5 CORRECTION. CORRECT SEQRES RECORDS. 15-JAN-95. 1CLMA 3 SEQRES 1 148 ALA GLN GLU LEU THR GLU GLU GLN ILE ALA GLU PHE LYS 1CLMA 4 SEQRES 2 148 GLU ALA PHE ALA LEU PHE ASP LYS ASP GLY ASP GLY THR 1CLMA 5 SEQRES 3 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU 1CLMA 6 SEQRES 4 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE 1CLMA 7 SEQRES 5 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE 1CLMA 8 SEQRES 6 148 PRO GLU PHE LEU SER LEU MET ALA ARG LYS MET LYS GLU 1CLMA 9 SEQRES 7 148 GLN ASP SER GLU GLU GLU LEU ILE GLU ALA PHE LYS VAL 1CLMA 10 SEQRES 8 148 PHE ASP ARG ASP GLY ASN GLY LEU ILE SER ALA ALA GLU 1CLMA 11 SEQRES 9 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR 1CLMA 12 SEQRES 10 148 ASP ASP GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE 1CLMA 13 SEQRES 11 148 ASP GLY ASP GLY HIS ILE ASN TYR GLU GLU PHE VAL ARG 1CLMA 14 SEQRES 12 148 MET MET VAL SER LYS 1CLMA 15 HET CA 149 1 CALCIUM +2 COUNTER ION 1CLM 43 HET CA 150 1 CALCIUM +2 COUNTER ION 1CLM 44 HET CA 151 1 CALCIUM +2 COUNTER ION 1CLM 45 HET CA 152 1 CALCIUM +2 COUNTER ION 1CLM 46 FORMUL 2 CA 4(CA1) 1CLM 47 FORMUL 3 HOH *71(H2 O1) 1CLM 48 HELIX 1 H1 GLU 7 PHE 19 1 1CLM 49 HELIX 2 H2 THR 29 SER 38 1 1CLM 50 HELIX 3 H3 GLU 45 VAL 55 1 1CLM 51 HELIX 4 H4 PHE 65 PHE 92 1 1CLM 52 HELIX 5 H5 ALA 102 ASN 111 1 1CLM 53 HELIX 6 H6 ASP 118 ALA 128 1 1CLM 54 HELIX 7 H7 TYR 138 SER 147 1 1CLM 55 SHEET 1 B1 2 THR 26 THR 28 0 1CLM 56 SHEET 2 B1 2 THR 62 ASP 64 -1 1CLM 57 SHEET 1 B2 2 LEU 99 SER 101 0 1CLM 58 SHEET 2 B2 2 HIS 135 ASN 137 -1 1CLM 59 TURN 1 T1 ASP 20 GLY 23 1CLM 60 TURN 2 T2 ASP 56 GLY 59 1CLM 61 TURN 3 T3 ASP 93 GLY 96 1CLM 62 TURN 4 T4 ASP 129 GLY 132 1CLM 63 CRYST1 29.660 53.790 25.490 92.84 97.02 88.54 P 1 1 1CLM 64 ORIGX1 1.000000 0.000000 0.000000 0.00000 1CLM 65 ORIGX2 0.000000 1.000000 0.000000 0.00000 1CLM 66 ORIGX3 0.000000 0.000000 1.000000 0.00000 1CLM 67 SCALE1 0.033715 -0.000859 0.004116 0.00000 1CLM 68 SCALE2 0.000000 0.018597 0.000871 0.00000 1CLM 69 SCALE3 0.000000 0.000000 0.039571 0.00000 1CLM 70 (ATOM LINES ARE NOT SHOWN.) END