load pdb inline exit HEADER TEXTURE OF CONNECTIVE TISSUE 23-MAY-78 1KES 1KES 3 COMPND KERATAN SULFATE (SULFATED POLY(GALACTOSYL-N-ACETYL 1KES 4 COMPND 2 GLUCOSAMINE)) 1KES 5 SOURCE BOVINE (BOS TAURUS) CORNEA 1KES 6 EXPDTA X-RAY FIBER DIFFRACTION 1KESB 1 AUTHOR S.ARNOTT 1KES 7 REVDAT 3 15-OCT-94 1KESB 3 EXPDTA CRYST1 SCALE 1KESB 2 REVDAT 2 30-SEP-83 1KESA 1 REVDAT 1KESA 1 REVDAT 1 28-MAR-80 1KES 0 1KESA 2 JRNL AUTH S.ARNOTT,J.M.GUSS,D.W.L.HUKINS,I.C.M.DEA,D.A.REES 1KES 8 JRNL TITL CONFORMATION OF KERATAN SULPHATE 1KES 9 JRNL REF J.MOL.BIOL. V. 88 175 1974 1KES 10 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 070 1KES 11 REMARK 1 1KES 12 REMARK 1 REFERENCE 1 1KES 13 REMARK 1 AUTH S.ARNOTT,W.E.SCOTT 1KES 14 REMARK 1 TITL ACCURATE X-RAY DIFFRACTION ANALYSIS OF FIBROUS 1KES 15 REMARK 1 TITL 2 POLYSACCHARIDES CONTAINING PYRANOSE RINGS. PART 1 1KES 16 REMARK 1 TITL 3 THE LINKED-ATOM APPROACH. 1KES 17 REMARK 1 REF J.CHEM.SOC.,PERKIN TRANS.2 324 1972 1KES 18 REMARK 1 REFN ASTM JCPKBH UK ISSN 0300-9580 188 1KES 19 REMARK 2 1KES 20 REMARK 2 RESOLUTION. 3.0 ANGSTROMS. 1KES 21 REMARK 3 1KES 22 REMARK 3 REFINEMENT. BY A LINKED-ATOM LEAST-SQUARES MODEL-BUILDING 1KES 23 REMARK 3 PROCEDURE. SEE REFERENCE 1 ABOVE. 1KES 24 REMARK 4 1KES 25 REMARK 4 THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT OF THIS STRUCTURE 1KES 26 REMARK 4 COMPRISES ONE GLS-NGS PAIR OF RESIDUES. IN ORDER TO ALLOW 1KES 27 REMARK 4 FACILE GENERATION OF THE LONG CHAIN WHICH REALISTICALLY 1KES 28 REMARK 4 REPRESENTS THE STRUCTURE, COORDINATES FOR THE CHAIN SEGMENT 1KES 29 REMARK 4 LIMITED BY THE UNIT-CELL REPEAT DISTANCE IN THE Z DIRECTION 1KES 30 REMARK 4 ARE GIVEN HERE. BY REPEATED TRANSLATION OF 18.9 ANGSTROMS 1KES 31 REMARK 4 IN THE Z DIRECTION THE FULL STRUCTURE OF THE POLYMER MAY BE 1KES 32 REMARK 4 OBTAINED. 1KES 33 REMARK 5 1KES 34 REMARK 5 THE FOUR-RESIDUE CHAIN SEGMENT GIVEN HERE WAS GENERATED 1KES 35 REMARK 5 FROM THE PUBLISHED TWO-RESIDUE SEGMENT BY APPLICATION OF 1KES 36 REMARK 5 THE TWO-FOLD SCREW AXIS PARALLEL TO Z AND PASSING THROUGH 1KES 37 REMARK 5 X=0,Y=0. 1KES 38 REMARK 6 1KESA 3 REMARK 6 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83. 1KESA 4 REMARK 7 1KESB 3 REMARK 7 CORRECTION. INSERT EXPDTA RECORD. INSERT MISSING CRYST1 1KESB 4 REMARK 7 AND SCALE RECORDS. 15-OCT-94. 1KESB 5 SEQRES 1 4 GLS NGS GLS NGS 1KES 39 HET GLS -999 15 D-GALACTOSE-6-SULFATE 1KES 40 HET NGS -999 18 N-ACETYL-D-GLUCOSAMINE-6-SULFATE 1KES 41 FORMUL 1 GLS 2(C6 H11 O9 S1) 1KES 42 FORMUL 1 NGS 2(C8 H14 N1 O9 S1) 1KES 43 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 1KESB 6 ORIGX1 .100000 0.000000 0.000000 0.00000 1KES 44 ORIGX2 0.000000 .100000 0.000000 0.00000 1KES 45 ORIGX3 0.000000 0.000000 .100000 0.00000 1KES 46 SCALE1 1.000000 0.000000 0.000000 0.00000 1KESB 7 SCALE2 0.000000 1.000000 0.000000 0.00000 1KESB 8 SCALE3 0.000000 0.000000 1.000000 0.00000 1KESB 9 TVECT 0.00000 0.00000 18.90000 1KES 47 HETATM 1 C1 GLS 1 1.195 .434 2.038 1.00 0.00 1KES 48 HETATM 2 C2 GLS 1 1.152 -.273 3.386 1.00 0.00 1KES 49 HETATM 3 C3 GLS 1 1.658 .647 4.487 1.00 0.00 1KES 50 HETATM 4 C4 GLS 1 3.032 1.196 4.125 1.00 0.00 1KES 51 HETATM 5 C5 GLS 1 2.999 1.820 2.734 1.00 0.00 1KES 52 HETATM 6 C6 GLS 1 4.363 2.283 2.268 1.00 0.00 1KES 53 HETATM 7 O1 GLS 1 .850 -.481 1.052 1.00 0.00 1KES 54 HETATM 8 O2 GLS 1 -.181 -.694 3.653 1.00 0.00 1KES 55 HETATM 9 O4 GLS 1 4.004 .149 4.131 1.00 0.00 1KES 56 HETATM 10 O5 GLS 1 2.532 .862 1.772 1.00 0.00 1KES 57 HETATM 11 O6 GLS 1 4.305 2.887 .977 1.00 0.00 1KES 58 HETATM 12 S GLS 1 5.696 3.414 .386 1.00 0.00 1KES 59 HETATM 13 O7 GLS 1 6.623 2.305 .270 1.00 0.00 1KES 60 HETATM 14 O8 GLS 1 6.251 4.416 1.275 1.00 0.00 1KES 61 HETATM 15 O9 GLS 1 5.476 3.998 -.923 1.00 0.00 1KES 62 HETATM 16 C1 NGS 2 .862 .315 6.723 1.00 0.00 1KES 63 HETATM 17 C2 NGS 2 .013 -.888 7.115 1.00 0.00 1KES 64 HETATM 18 C3 NGS 2 -.864 -.553 8.312 1.00 0.00 1KES 65 HETATM 19 C4 NGS 2 -.016 0.000 9.450 1.00 0.00 1KES 66 HETATM 20 C5 NGS 2 .849 1.151 8.950 1.00 0.00 1KES 67 HETATM 21 C6 NGS 2 1.799 1.670 10.008 1.00 0.00 1KES 68 HETATM 22 O1 NGS 2 1.737 -.075 5.717 1.00 0.00 1KES 69 HETATM 23 O3 NGS 2 -1.548 -1.729 8.748 1.00 0.00 1KES 70 HETATM 24 O5 NGS 2 1.654 .720 7.841 1.00 0.00 1KES 71 HETATM 25 O6 NGS 2 2.581 2.764 9.528 1.00 0.00 1KES 72 HETATM 26 N NGS 2 -.812 -1.302 5.959 1.00 0.00 1KES 73 HETATM 27 C NGS 2 -.629 -2.562 5.426 1.00 0.00 1KES 74 HETATM 28 O NGS 2 .183 -3.364 5.858 1.00 0.00 1KES 75 HETATM 29 CH3 NGS 2 -1.535 -2.850 4.253 1.00 0.00 1KES 76 HETATM 30 S NGS 2 4.038 2.920 10.170 1.00 0.00 1KES 77 HETATM 31 O7 NGS 2 4.814 1.724 9.905 1.00 0.00 1KES 78 HETATM 32 O8 NGS 2 3.918 3.109 11.603 1.00 0.00 1KES 79 HETATM 33 O9 NGS 2 4.704 4.067 9.585 1.00 0.00 1KES 80 HETATM 34 C1 GLS 3 -1.195 -.434 11.488 1.00 0.00 1KES 81 HETATM 35 C2 GLS 3 -1.152 .273 12.836 1.00 0.00 1KES 82 HETATM 36 C3 GLS 3 -1.658 -.647 13.937 1.00 0.00 1KES 83 HETATM 37 C4 GLS 3 -3.032 -1.196 13.575 1.00 0.00 1KES 84 HETATM 38 C5 GLS 3 -2.999 -1.820 12.184 1.00 0.00 1KES 85 HETATM 39 C6 GLS 3 -4.363 -2.283 11.718 1.00 0.00 1KES 86 HETATM 40 O1 GLS 3 -.850 .481 10.502 1.00 0.00 1KES 87 HETATM 41 O2 GLS 3 .181 .694 13.103 1.00 0.00 1KES 88 HETATM 42 O4 GLS 3 -4.004 -.149 13.581 1.00 0.00 1KES 89 HETATM 43 O5 GLS 3 -2.532 -.862 11.222 1.00 0.00 1KES 90 HETATM 44 O6 GLS 3 -4.305 -2.887 10.427 1.00 0.00 1KES 91 HETATM 45 S GLS 3 -5.696 -3.414 9.836 1.00 0.00 1KES 92 HETATM 46 O7 GLS 3 -6.623 -2.305 9.720 1.00 0.00 1KES 93 HETATM 47 O8 GLS 3 -6.251 -4.416 10.725 1.00 0.00 1KES 94 HETATM 48 O9 GLS 3 -5.476 -3.998 8.527 1.00 0.00 1KES 95 HETATM 49 C1 NGS 4 -.862 -.315 16.173 1.00 0.00 1KES 96 HETATM 50 C2 NGS 4 -.013 .888 16.565 1.00 0.00 1KES 97 HETATM 51 C3 NGS 4 .864 .553 17.762 1.00 0.00 1KES 98 HETATM 52 C4 NGS 4 .016 0.000 18.900 1.00 0.00 1KES 99 HETATM 53 C5 NGS 4 -.849 -1.151 18.400 1.00 0.00 1KES 100 HETATM 54 C6 NGS 4 -1.799 -1.670 19.458 1.00 0.00 1KES 101 HETATM 55 O1 NGS 4 -1.737 .075 15.167 1.00 0.00 1KES 102 HETATM 56 O3 NGS 4 1.548 1.729 18.198 1.00 0.00 1KES 103 HETATM 57 O5 NGS 4 -1.654 -.720 17.291 1.00 0.00 1KES 104 HETATM 58 O6 NGS 4 -2.581 -2.764 18.978 1.00 0.00 1KES 105 HETATM 59 N NGS 4 .812 1.302 15.409 1.00 0.00 1KES 106 HETATM 60 C NGS 4 .629 2.562 14.876 1.00 0.00 1KES 107 HETATM 61 O NGS 4 -.183 3.364 15.308 1.00 0.00 1KES 108 HETATM 62 CH3 NGS 4 1.535 2.850 13.703 1.00 0.00 1KES 109 HETATM 63 S NGS 4 -4.038 -2.920 19.620 1.00 0.00 1KES 110 HETATM 64 O7 NGS 4 -4.814 -1.724 19.355 1.00 0.00 1KES 111 HETATM 65 O8 NGS 4 -3.918 -3.109 21.053 1.00 0.00 1KES 112 HETATM 66 O9 NGS 4 -4.704 -4.067 19.035 1.00 0.00 1KES 113 CONECT 1 2 7 10 1KES 114 CONECT 2 1 3 8 1KES 115 CONECT 3 2 4 22 1KES 116 CONECT 4 3 5 9 1KES 117 CONECT 5 4 6 10 1KES 118 CONECT 6 5 11 1KES 119 CONECT 7 1 -52 1KES 120 CONECT 8 2 1KES 121 CONECT 9 4 1KES 122 CONECT 10 1 5 1KES 123 CONECT 11 6 12 1KES 124 CONECT 12 11 13 14 15 1KES 125 CONECT 13 12 1KES 126 CONECT 14 12 1KES 127 CONECT 15 12 1KES 128 CONECT 16 17 22 24 1KES 129 CONECT 17 16 18 26 1KES 130 CONECT 18 17 19 23 1KES 131 CONECT 19 18 20 40 1KES 132 CONECT 20 19 21 24 1KES 133 CONECT 21 20 25 1KES 134 CONECT 22 3 16 1KES 135 CONECT 23 18 1KES 136 CONECT 24 16 20 1KES 137 CONECT 25 21 30 1KES 138 CONECT 26 17 27 1KES 139 CONECT 27 26 28 29 1KES 140 CONECT 28 27 1KES 141 CONECT 29 27 1KES 142 CONECT 30 25 31 32 33 1KES 143 CONECT 31 30 1KES 144 CONECT 32 30 1KES 145 CONECT 33 30 1KES 146 CONECT 34 35 40 43 1KES 147 CONECT 35 34 36 41 1KES 148 CONECT 36 35 37 55 1KES 149 CONECT 37 36 38 42 1KES 150 CONECT 38 37 39 43 1KES 151 CONECT 39 38 44 1KES 152 CONECT 40 19 34 1KES 153 CONECT 41 35 1KES 154 CONECT 42 37 1KES 155 CONECT 43 34 38 1KES 156 CONECT 44 39 45 1KES 157 CONECT 45 44 46 47 48 1KES 158 CONECT 46 45 1KES 159 CONECT 47 45 1KES 160 CONECT 48 45 1KES 161 CONECT 49 50 55 57 1KES 162 CONECT 50 49 51 59 1KES 163 CONECT 51 50 52 56 1KES 164 CONECT 52 -7 51 53 1KES 165 CONECT 53 52 54 57 1KES 166 CONECT 54 53 58 1KES 167 CONECT 55 36 49 1KES 168 CONECT 56 51 1KES 169 CONECT 57 49 53 1KES 170 CONECT 58 54 63 1KES 171 CONECT 59 50 60 1KES 172 CONECT 60 59 61 62 1KES 173 CONECT 61 60 1KES 174 CONECT 62 60 1KES 175 CONECT 63 58 64 65 66 1KES 176 CONECT 64 63 1KES 177 CONECT 65 63 1KES 178 CONECT 66 63 1KES 179 MASTER 32 0 2 0 0 0 0 6 66 0 66 1 1KESB 10 END 1KES 181