HEADER CALCIUM-BINDING PROTEIN 11-AUG-93 1OSA 1OSA 2 COMPND CALMODULIN 1OSA 3 SOURCE PARAMECIUM RECOMBINANT FORM EXPRESSED IN (EXCHERICHIA COLI) 1OSA 4 AUTHOR M.SUNDARALINGAM 1OSA 5 REVDAT 1 31-OCT-93 1OSA 0 1OSA 6 JRNL AUTH C.BAN,B.RAMAKRISHNAN,K.-Y.LING,C.KUNG, 1OSA 7 JRNL AUTH 2 M.SUNDARALINGAM 1OSA 8 JRNL TITL CRYSTAL STRUCTURE OF RECOMBINANT PARAMECIUM 1OSA 9 JRNL TITL 2 TETRAURELIA CALMODULIN AT 1.68 ANGSTROMS 1OSA 10 JRNL TITL 3 RESOLUTION 1OSA 11 JRNL REF TO BE PUBLISHED 1OSA 12 JRNL REFN 353 1OSA 13 REMARK 1 1OSA 14 REMARK 1 REFERENCE 1 1OSA 15 REMARK 1 AUTH S.T.RAO,S.WU,K.A.SATYSHUR,K.-Y.LING,C.KUNG, 1OSA 16 REMARK 1 AUTH 2 M.SUNDARALINGAM 1OSA 17 REMARK 1 TITL STRUCTURE OF PARAMECIUM TETRAURELIA CALMODULIN AT 1OSA 18 REMARK 1 TITL 2 1.8 ANGSTROMS RESOLUTION 1OSA 19 REMARK 1 REF PROTEIN SCI. V. 2 436 1993 1OSA 20 REMARK 1 REFN US ISSN 0961-8368 795 1OSA 21 REMARK 2 1OSA 22 REMARK 2 RESOLUTION. 1.68 ANGSTROMS. 1OSA 23 REMARK 3 1OSA 24 REMARK 3 REFINEMENT. 1OSA 25 REMARK 3 PROGRAM X-PLOR 1OSA 26 REMARK 3 AUTHORS BRUNGER 1OSA 27 REMARK 3 R VALUE 0.194 1OSA 28 REMARK 3 RMSD BOND DISTANCES 0.012 ANGSTROMS 1OSA 29 REMARK 3 RMSD BOND ANGLES 2.40 DEGREES 1OSA 30 REMARK 4 1OSA 31 REMARK 4 THE FOUR CALCIUM ION BINDING SITES ARE IDENTIFIED AS *EF1*, 1OSA 32 REMARK 4 *EF2*, *EF3*, AND *EF4* ON *SITE* RECORDS BELOW. 1OSA 33 REMARK 5 1OSA 34 REMARK 5 THERE ARE 148 RESIDUES IN CALMODULIN BUT ONLY RESIDUES 5 - 1OSA 35 REMARK 5 147 ARE INCLUDED IN THIS ENTRY. THE POSITIONS OF RESIDUES 1OSA 36 REMARK 5 1 - 4 AND 148 ARE UNCERTAIN AT THE PRESENT TIME. 1OSA 37 SEQRES 1 148 ALA GLU GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS 1OSA 38 SEQRES 2 148 GLU ALA PHE ALA LEU PHE ASP LYS ASP GLY ASP GLY THR 1OSA 39 SEQRES 3 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU 1OSA 40 SEQRES 4 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE 1OSA 41 SEQRES 5 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE 1OSA 42 SEQRES 6 148 PRO GLU PHE LEU SER LEU MET ALA ARG LYS MET LYS GLU 1OSA 43 SEQRES 7 148 GLN ASP SER GLU GLU GLU LEU ILE GLU ALA PHE LYS VAL 1OSA 44 SEQRES 8 148 PHE ASP ARG ASP GLY ASN GLY LEU ILE SER ALA ALA GLU 1OSA 45 SEQRES 9 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR 1OSA 46 SEQRES 10 148 ASP ASP GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE 1OSA 47 SEQRES 11 148 ASP GLY ASP GLY HIS ILE ASN TYR GLU GLU PHE VAL ARG 1OSA 48 SEQRES 12 148 MET MET VAL SER LYS 1OSA 49 HET CA 149 1 CALCIUM +2 COUNTER ION 1OSA 50 HET CA 150 1 CALCIUM +2 COUNTER ION 1OSA 51 HET CA 151 1 CALCIUM +2 COUNTER ION 1OSA 52 HET CA 152 1 CALCIUM +2 COUNTER ION 1OSA 53 FORMUL 2 CA 4(CA1) 1OSA 54 FORMUL 3 HOH *172(H2 O1) 1OSA 55 HELIX 1 H1 GLU 6 PHE 19 1 1OSA 56 HELIX 2 H2 THR 29 SER 38 1 1OSA 57 HELIX 3 H3 GLU 45 VAL 55 1 1OSA 58 HELIX 4 H4 PHE 65 PHE 92 1 1OSA 59 HELIX 5 H5 ALA 102 ASN 111 1 1OSA 60 HELIX 6 H6 ASP 118 ALA 128 1 1OSA 61 HELIX 7 H7 TYR 138 SER 147 1 1OSA 62 SHEET 1 B1 2 THR 26 THR 28 0 1OSA 63 SHEET 2 B1 2 THR 62 ASP 64 -1 1OSA 64 SHEET 1 B2 2 LEU 99 SER 101 0 1OSA 65 SHEET 2 B2 2 HIS 135 ASN 137 -1 1OSA 66 TURN 1 T1 ASP 20 GLY 23 1OSA 67 TURN 2 T2 ASP 56 GLY 59 1OSA 68 TURN 3 T3 ASP 93 GLY 96 1OSA 69 TURN 4 T4 ASP 129 GLY 132 1OSA 70 SITE 1 EF1 12 ASP 20 LYS 21 ASP 22 GLY 23 1OSA 71 SITE 2 EF1 12 ASP 24 GLY 25 THR 26 ILE 27 1OSA 72 SITE 3 EF1 12 THR 28 THR 29 LYS 30 GLU 31 1OSA 73 SITE 1 EF2 12 ASP 56 ALA 57 ASP 58 GLY 59 1OSA 74 SITE 2 EF2 12 ASN 60 GLY 61 THR 62 ILE 63 1OSA 75 SITE 3 EF2 12 ASP 64 PHE 65 PRO 66 GLU 67 1OSA 76 SITE 1 EF3 12 ASP 93 ARG 94 ASP 95 GLY 96 1OSA 77 SITE 2 EF3 12 ASN 97 GLY 98 LEU 99 ILE 100 1OSA 78 SITE 3 EF3 12 SER 101 ALA 102 ALA 103 GLU 104 1OSA 79 SITE 1 EF4 12 ASP 129 ILE 130 ASP 131 GLY 132 1OSA 80 SITE 2 EF4 12 ASP 133 GLY 134 HIS 135 ILE 136 1OSA 81 SITE 3 EF4 12 ASN 137 TYR 138 GLU 139 GLU 140 1OSA 82 CRYST1 29.890 53.420 25.350 93.67 96.88 89.24 P 1 1 1OSA 83 ORIGX1 1.000000 0.000000 0.000000 0.00000 1OSA 84 ORIGX2 0.000000 1.000000 0.000000 0.00000 1OSA 85 ORIGX3 0.000000 0.000000 1.000000 0.00000 1OSA 86 SCALE1 0.033456 -0.000444 0.004017 0.00000 1OSA 87 SCALE2 0.000000 0.018721 0.001180 0.00000 1OSA 88 SCALE3 0.000000 0.000000 0.039813 0.00000 1OSA 89 (ATOM LINES ARE NOT SHOWN.) END