REMARK File Generated by Swiss-Pdbviewer 4.00B0

FIGURE 5

HUMAN PDB FILE:

REMARK File generated by Swiss-PdbViewer 4.00b0

REMARK http://www.easy.org/spdbv/

REMARK File generated by Swiss-PdbViewer 4.00b0

REMARK http://www.easy.org/spdbv/

REMARK SwissModel EDB Template File Version. 3.7 9-Oct-2007

REMARK EDB File 2hwlB.pdb based on PDB entry 2hwl

REMARK Generated at BIOZENTRUM http://www.swissmodel.unibas.ch

REMARK DeepView: http://www.easy.org/spdbv/

REMARK SWISS MODEL: http://swissmodel.easy.org/

REMARK ------

REMARK ------

REMARK EDB SOURCEFILE 2hwl

REMARK EDB RESOLUTION 2.40

REMARK EDB EERIMENT X-RAY

REMARK EDB PQS HETERO PENTAMERIC

REMARK EDB CHECKSUM ba2a58770db8194e547e108e5313394f

REMARK EDB GROMOS -9258.468750

REMARK EDB ANOLEA -2469.183

REMARK EDB ANSCOR -2469.18 124.29 3.55 15.35

REMARK ------

DBREF 2HWL B 16 247 UNP P00734 THRB_HUMAN 364 622

HEADER HYDROLASE 01-AUG-06 2HWL

TITLE CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH FIBRINOGEN

TITLE 2 GAMMA' PEPTIDE

COMPND MOL_ID: 1;

COMPND 2 MOLECULE: PROTHROMBIN;

COMPND 3 CHAIN: A, C;

COMPND 4 FRAGMENT: THROMBIN LIGHT CHAIN;

COMPND 5 SYNONYM: COAGULATION FACTOR II;

COMPND 6 EC: 3.4.21.5;

COMPND 7 ENGINEERED: YES;

COMPND 8 MOL_ID: 2;

COMPND 9 MOLECULE: PROTHROMBIN;

COMPND 10 CHAIN: B, D;

COMPND 11 FRAGMENT: THROMBIN HEAVY CHAIN;

COMPND 12 SYNONYM: COAGULATION FACTOR II;

COMPND 13 EC: 3.4.21.5;

COMPND 14 ENGINEERED: YES;

COMPND 15 MUTATION: YES;

COMPND 16 MOL_ID: 3;

COMPND 17 MOLECULE: FIBRINOGEN GAMMA' PEPTIDE;

COMPND 18 CHAIN: P;

COMPND 19 ENGINEERED: YES

SOURCE MOL_ID: 1;

SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;

SOURCE 3 ORGANISM_COMMON: HUMAN;

SOURCE 4 GENE: F2;

SOURCE 5 ERESSION_SYSTEM: CRICETULUS GRISEUS;

SOURCE 6 ERESSION_SYSTEM_COMMON: CHINESE HAMSTER;

SOURCE 7 ERESSION_SYSTEM_ORGAN: KIDNEY;

SOURCE 8 ERESSION_SYSTEM_VECTOR_TYPE: PLASMID;

SOURCE 9 ERESSION_SYSTEM_PLASMID: HPC4-PNUT;

SOURCE 10 MOL_ID: 2;

SOURCE 11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;

SOURCE 12 ORGANISM_COMMON: HUMAN;

SOURCE 13 GENE: F2;

SOURCE 14 ERESSION_SYSTEM: CRICETULUS GRISEUS;

SOURCE 15 ERESSION_SYSTEM_COMMON: CHINESE HAMSTER;

SOURCE 16 ERESSION_SYSTEM_ORGAN: KIDNEY;

SOURCE 17 ERESSION_SYSTEM_VECTOR_TYPE: PLASMID;

SOURCE 18 ERESSION_SYSTEM_PLASMID: HPC4-PNUT;

SOURCE 19 MOL_ID: 3;

SOURCE 20 SYNTHETIC: YES;

SOURCE 21 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. THE

SOURCE 22 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HOMO SAPIENS

SOURCE 23 (HUMAN).

EDTA X-RAY DIFFRACTION

AUTHOR A.O.PINEDA,Z.W.CHEN,F.MARINO,F.S.MATHEWS,M.W.MOSESSON,E.DI

AUTHOR 2 CERA

REMARK 2 RESOLUTION. 2.40 ANGSTROMS.

CRYST1 66.397 81.523 70.256 90.00 109.35 90.00 P 1 21 1 4

ATOM 1 N ILE B 16 42.331 8.216 34.993 1.00 42.32

ATOM 2 CA ILE B 16 41.683 9.463 34.502 1.00 43.08

ATOM 3 C ILE B 16 42.592 10.669 34.714 1.00 44.53

ATOM 4 O ILE B 16 43.053 10.922 35.821 1.00 45.69

ATOM 5 CB ILE B 16 40.334 9.695 35.217 1.00 43.24

ATOM 6 CG1 ILE B 16 39.372 8.564 34.826 1.00 44.18

ATOM 7 CG2 ILE B 16 39.776 11.084 34.867 1.00 41.38

ATOM 8 CD1 ILE B 16 37.982 8.705 35.347 1.00 45.86

ATOM 9 N VAL B 17 42.847 11.396 33.635 1.00 45.25

ATOM 10 CA VAL B 17 43.700 12.576 33.664 1.00 46.75

ATOM 11 C VAL B 17 42.875 13.822 33.973 1.00 48.61

ATOM 12 O VAL B 17 41.762 13.977 33.464 1.00 48.59

ATOM 13 CB VAL B 17 44.400 12.772 32.303 1.00 46.90

ATOM 14 CG1 VAL B 17 45.262 14.018 32.329 1.00 42.71

ATOM 15 CG2 VAL B 17 45.231 11.535 31.967 1.00 48.84

ATOM 16 N GLU B 18 43.431 14.703 34.805 1.00 48.75

ATOM 17 CA GLU B 18 42.778 15.954 35.199 1.00 47.53

ATOM 18 C GLU B 18 41.371 15.771 35.748 1.00 47.23

ATOM 19 O GLU B 18 40.480 16.579 35.490 1.00 47.30

ATOM 20 CB GLU B 18 42.745 16.931 34.024 1.00 49.18

ATOM 21 CG GLU B 18 44.125 17.437 33.612 1.00 54.79

ATOM 22 CD GLU B 18 44.745 18.381 34.636 1.00 57.28

ATOM 23 OE1 GLU B 18 44.309 19.554 34.715 1.00 56.93

ATOM 24 OE2 GLU B 18 45.665 17.942 35.366 1.00 58.80

ATOM 25 N GLY B 19 41.172 14.703 36.506 1.00 46.92

ATOM 26 CA GLY B 19 39.875 14.462 37.099 1.00 47.56

ATOM 27 C GLY B 19 39.981 14.792 38.573 1.00 47.44

ATOM 28 O GLY B 19 40.886 15.509 38.983 1.00 48.73

ATOM 29 N SER B 20 39.073 14.265 39.379 1.00 47.45

ATOM 30 CA SER B 20 39.110 14.526 40.804 1.00 47.24

ATOM 31 C SER B 20 38.525 13.344 41.547 1.00 46.67

ATOM 32 O SER B 20 37.848 12.505 40.958 1.00 47.43

ATOM 33 CB SER B 20 38.310 15.783 41.125 1.00 47.44

ATOM 34 OG SER B 20 36.944 15.598 40.813 1.00 47.74

ATOM 35 N ASP B 21 38.784 13.280 42.846 1.00 46.08

ATOM 36 CA ASP B 21 38.266 12.196 43.661 1.00 46.02

ATOM 37 C ASP B 21 36.755 12.147 43.575 1.00 43.76

ATOM 38 O ASP B 21 36.095 13.169 43.429 1.00 45.07

ATOM 39 CB ASP B 21 38.690 12.383 45.115 1.00 49.18

ATOM 40 CG ASP B 21 40.154 12.070 45.339 1.00 51.51

ATOM 41 OD1 ASP B 21 40.957 12.252 44.396 1.00 49.73

ATOM 42 OD2 ASP B 21 40.497 11.652 46.467 1.00 55.90

ATOM 43 N ALA B 22 36.215 10.945 43.667 1.00 42.37

ATOM 44 CA ALA B 22 34.785 10.749 43.588 1.00 41.18

ATOM 45 C ALA B 22 34.218 10.564 44.982 1.00 41.81

ATOM 46 O ALA B 22 34.894 10.078 45.871 1.00 41.80

ATOM 47 CB ALA B 22 34.487 9.527 42.735 1.00 39.83

ATOM 48 N GLU B 23 32.970 10.959 45.173 1.00 43.35

ATOM 49 CA GLU B 23 32.330 10.798 46.465 1.00 45.10

ATOM 50 C GLU B 23 31.883 9.353 46.625 1.00 45.94

ATOM 51 O GLU B 23 31.657 8.656 45.640 1.00 46.77

ATOM 52 CB GLU B 23 31.114 11.709 46.563 1.00 45.32

ATOM 53 CG GLU B 23 31.433 13.161 46.328 1.00 47.48

ATOM 54 CD GLU B 23 30.192 13.976 46.079 1.00 49.23

ATOM 55 OE1 GLU B 23 29.280 13.930 46.932 1.00 49.24

ATOM 56 OE2 GLU B 23 30.132 14.657 45.029 1.00 49.79

ATOM 57 N ILE B 24 31.755 8.912 47.869 1.00 45.81

ATOM 58 CA ILE B 24 31.318 7.557 48.152 1.00 45.85

ATOM 59 C ILE B 24 29.896 7.369 47.618 1.00 46.14

ATOM 60 O ILE B 24 29.023 8.217 47.837 1.00 46.98

ATOM 61 CB ILE B 24 31.381 7.279 49.685 1.00 47.01

ATOM 62 CG1 ILE B 24 32.849 7.152 50.114 1.00 49.14

ATOM 63 CG2 ILE B 24 30.599 6.016 50.047 1.00 43.65

ATOM 64 CD1 ILE B 24 33.049 6.913 51.599 1.00 52.90

ATOM 65 N GLY B 25 29.679 6.263 46.905 1.00 43.43

ATOM 66 CA GLY B 25 28.370 5.971 46.338 1.00 42.96

ATOM 67 C GLY B 25 27.995 6.821 45.130 1.00 42.69

ATOM 68 O GLY B 25 26.846 6.808 44.686 1.00 43.38

ATOM 69 N MET B 26 28.956 7.559 44.587 1.00 39.77

ATOM 70 CA MET B 26 28.698 8.419 43.443 1.00 39.65

ATOM 71 C MET B 26 28.527 7.651 42.126 1.00 39.19

ATOM 72 O MET B 26 27.835 8.108 41.216 1.00 38.23

ATOM 73 CB MET B 26 29.828 9.435 43.319 1.00 40.27

ATOM 74 CG MET B 26 29.659 10.445 42.210 1.00 42.60

ATOM 75 SD MET B 26 31.157 11.441 42.070 1.00 49.07

ATOM 76 CE MET B 26 30.494 13.102 41.991 1.00 49.42

ATOM 77 N SER B 27 29.157 6.487 42.031 1.00 38.82

ATOM 78 CA SER B 27 29.092 5.661 40.828 1.00 37.73

ATOM 79 C SER B 27 28.984 4.195 41.257 1.00 35.73

ATOM 80 O SER B 27 29.882 3.395 41.012 1.00 36.49

ATOM 81 CB SER B 27 30.358 5.890 39.996 1.00 37.27

ATOM 82 OG SER B 27 30.229 5.332 38.704 1.00 43.50

ATOM 83 N PRO B 28 27.861 3.826 41.889 1.00 34.58

ATOM 84 CA PRO B 28 27.592 2.471 42.381 1.00 33.55

ATOM 85 C PRO B 28 27.545 1.359 41.335 1.00 33.78

ATOM 86 O PRO B 28 27.431 0.186 41.680 1.00 31.67

ATOM 87 CB PRO B 28 26.264 2.632 43.114 1.00 33.86

ATOM 88 CG PRO B 28 25.574 3.686 42.314 1.00 34.37

ATOM 89 CD PRO B 28 26.667 4.683 42.029 1.00 34.47

ATOM 90 N TRP B 29 27.619 1.729 40.063 1.00 32.17

ATOM 91 CA TRP B 29 27.578 0.748 38.987 1.00 32.71

ATOM 92 C TRP B 29 28.967 0.536 38.431 1.00 32.60

ATOM 93 O TRP B 29 29.148 -0.190 37.460 1.00 32.67

ATOM 94 CB TRP B 29 26.648 1.232 37.876 1.00 32.45

ATOM 95 CG TRP B 29 26.753 2.702 37.656 1.00 31.89

ATOM 96 CD1 TRP B 29 27.783 3.383 37.065 1.00 30.65

ATOM 97 CD2 TRP B 29 25.799 3.688 38.058 1.00 31.92

ATOM 98 NE1 TRP B 29 27.526 4.730 37.077 1.00 32.75

ATOM 99 CE2 TRP B 29 26.314 4.946 37.683 1.00 32.09

ATOM 100 CE3 TRP B 29 24.557 3.625 38.710 1.00 31.41

ATOM 101 CZ2 TRP B 29 25.631 6.142 37.931 1.00 32.05

ATOM 102 CZ3 TRP B 29 23.873 4.817 38.959 1.00 33.59

ATOM 103 CH2 TRP B 29 24.413 6.058 38.568 1.00 32.15

ATOM 104 N GLN B 30 29.947 1.187 39.047 1.00 32.48

ATOM 105 CA GLN B 30 31.329 1.070 38.605 1.00 31.84

ATOM 106 C GLN B 30 31.806 -0.352 38.853 1.00 30.68

ATOM 107 O GLN B 30 31.519 -0.943 39.900 1.00 26.54

ATOM 108 CB GLN B 30 32.223 2.043 39.372 1.00 30.91

ATOM 109 CG GLN B 30 33.582 2.274 38.738 1.00 30.54

ATOM 110 CD GLN B 30 33.483 3.193 37.546 1.00 34.58

ATOM 111 OE1 GLN B 30 32.526 3.961 37.430 1.00 34.46

ATOM 112 NE2 GLN B 30 34.476 3.140 36.659 1.00 31.99

ATOM 113 N VAL B 31 32.524 -0.905 37.881 1.00 30.68

ATOM 114 CA VAL B 31 33.044 -2.253 38.012 1.00 29.79

ATOM 115 C VAL B 31 34.498 -2.295 37.577 1.00 31.50

ATOM 116 O VAL B 31 34.879 -1.662 36.591 1.00 31.37

ATOM 117 CB VAL B 31 32.251 -3.242 37.148 1.00 30.19

ATOM 118 CG1 VAL B 31 32.864 -4.644 37.261 1.00 25.13

ATOM 119 CG2 VAL B 31 30.794 -3.254 37.569 1.00 26.23

ATOM 120 N MET B 32 35.305 -3.044 38.322 1.00 34.59

ATOM 121 CA MET B 32 36.724 -3.205 38.014 1.00 35.72

ATOM 122 C MET B 32 36.939 -4.583 37.408 1.00 34.74

ATOM 123 O MET B 32 36.505 -5.583 37.980 1.00 37.14

ATOM 124 CB MET B 32 37.574 -3.098 39.288 1.00 36.77

ATOM 125 CG MET B 32 37.560 -1.729 39.958 1.00 39.54

ATOM 126 SD MET B 32 38.387 -1.693 41.600 1.00 41.12

ATOM 127 CE MET B 32 40.073 -1.419 41.128 1.00 38.24

ATOM 128 N LEU B 33 37.595 -4.636 36.253 1.00 33.23

ATOM 129 CA LEU B 33 37.887 -5.911 35.614 1.00 32.49

ATOM 130 C LEU B 33 39.348 -6.244 35.881 1.00 33.78

ATOM 131 O LEU B 33 40.248 -5.506 35.484 1.00 34.91

ATOM 132 CB LEU B 33 37.654 -5.835 34.108 1.00 35.54

ATOM 133 CG LEU B 33 37.914 -7.146 33.356 1.00 34.49

ATOM 134 CD1 LEU B 33 37.006 -8.222 33.913 1.00 36.29

ATOM 135 CD2 LEU B 33 37.660 -6.953 31.876 1.00 32.53

ATOM 136 N PHE B 34 39.580 -7.372 36.535 1.00 33.49

ATOM 137 CA PHE B 34 40.925 -7.793 36.899 1.00 33.43

ATOM 138 C PHE B 34 41.410 -9.055 36.235 1.00 33.75

ATOM 139 O PHE B 34 40.646 -10.000 36.055 1.00 37.37

ATOM 140 CB PHE B 34 40.989 -8.069 38.393 1.00 34.09

ATOM 141 CG PHE B 34 41.125 -6.859 39.236 1.00 36.54

ATOM 142 CD1 PHE B 34 42.384 -6.412 39.622 1.00 37.95

ATOM 143 CD2 PHE B 34 40.001 -6.207 39.719 1.00 37.64

ATOM 144 CE1 PHE B 34 42.521 -5.344 40.478 1.00 36.62

ATOM 145 CE2 PHE B 34 40.128 -5.132 40.580 1.00 38.22

ATOM 146 CZ PHE B 34 41.390 -4.701 40.962 1.00 38.85

ATOM 147 N ARG B 35 42.689 -9.074 35.887 1.00 33.59

ATOM 148 CA ARG B 35 43.286 -10.286 35.353 1.00 35.37

ATOM 149 C ARG B 35 43.624 -11.018 36.665 1.00 36.25

ATOM 150 O ARG B 35 44.106 -10.387 37.609 1.00 33.68

ATOM 151 CB ARG B 35 44.582 -9.992 34.595 1.00 36.41

ATOM 152 CG ARG B 35 45.263 -11.284 34.149 1.00 39.50

ATOM 153 CD ARG B 35 46.743 -11.180 33.878 1.00 44.07

ATOM 154 NE ARG B 35 47.020 -11.312 32.487 1.00 50.82

ATOM 155 CZ ARG B 35 47.524 -12.294 31.743 1.00 56.47

ATOM 156 NH1 ARG B 35 47.597 -11.991 30.463 1.00 58.11

ATOM 157 NH2 ARG B 35 47.956 -13.484 32.160 1.00 57.48

ATOM 158 N LYS B 36 43.377 -12.321 36.761 1.00 36.56

ATOM 159 CA LYS B 36 43.679 -13.000 38.021 1.00 39.30

ATOM 160 C LYS B 36 45.167 -13.097 38.352 1.00 41.78

ATOM 161 O LYS B 36 45.611 -12.655 39.415 1.00 39.69

ATOM 162 CB LYS B 36 43.075 -14.402 38.048 1.00 38.20

ATOM 163 CG LYS B 36 41.565 -14.434 38.236 1.00 38.61

ATOM 164 CD LYS B 36 41.074 -15.870 38.298 1.00 36.48

ATOM 165 CE LYS B 36 39.577 -15.933 38.476 1.00 37.82

ATOM 166 NZ LYS B 36 39.115 -17.346 38.468 1.00 40.62

ATOM 167 N SER B 36A 45.946 -13.669 37.445 1.00 42.82

ATOM 168 CA SER B 36A 47.364 -13.825 37.706 1.00 42.08

ATOM 169 C SER B 36A 48.203 -13.628 36.461 1.00 41.98

ATOM 170 O SER B 36A 48.030 -14.326 35.465 1.00 42.67

ATOM 171 CB SER B 36A 47.634 -15.207 38.295 1.00 41.90

ATOM 172 OG SER B 36A 49.004 -15.353 38.627 1.00 46.88

ATOM 173 N PRO B 37 49.123 -12.656 36.497 1.00 42.08

ATOM 174 CA PRO B 37 49.384 -11.766 37.635 1.00 42.72

ATOM 175 C PRO B 37 48.214 -10.828 37.926 1.00 43.77

ATOM 176 O PRO B 37 47.603 -10.313 36.995 1.00 46.53

ATOM 177 CB PRO B 37 50.635 -11.010 37.197 1.00 42.05

ATOM 178 CG PRO B 37 50.530 -11.018 35.692 1.00 42.52

ATOM 179 CD PRO B 37 50.095 -12.425 35.418 1.00 41.33

ATOM 180 N GLN B 38 47.906 -10.616 39.210 1.00 43.23

ATOM 181 CA GLN B 38 46.801 -9.736 39.612 1.00 43.06

ATOM 182 C GLN B 38 47.014 -8.399 38.934 1.00 43.11

ATOM 183 O GLN B 38 48.081 -7.819 39.043 1.00 45.10

ATOM 184 CB GLN B 38 46.776 -9.542 41.120 1.00 44.74

ATOM 185 CG GLN B 38 45.559 -8.776 41.600 1.00 49.94

ATOM 186 CD GLN B 38 44.335 -9.658 41.798 1.00 53.34

ATOM 187 OE1 GLN B 38 44.052 -10.557 41.002 1.00 54.54

ATOM 188 NE2 GLN B 38 43.598 -9.395 42.863 1.00 55.90

ATOM 189 N GLU B 39 45.994 -7.887 38.258 1.00 42.17

ATOM 190 CA GLU B 39 46.174 -6.654 37.511 1.00 40.58