Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : Q5S

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 144


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 14.028 1.124 0.871
2 C01 C C2 N N N 0 18.58 0.445 -3.111
3 C02 C C3 N N N 0 17.573 1.282 -2.364
4 C03 C C4 N N N 0 16.198 1.5 -2.941
5 C04 C C5 N N N 0 17.894 1.82 -1.214
6 C05 C C6 N N N 0 16.854 2.56 -0.413
7 C06 C C7 N N N 0 16.731 1.926 0.974
8 C07 C C8 N N N 0 15.691 2.667 1.775
9 C08 C C9 N N N 0 16.08 3.885 2.57
10 C09 C C10 N N N 0 14.449 2.251 1.779
11 C11 C C11 N N N 0 13.519 -0.047 1.713
12 C12 C C12 N N N 0 13.099 -1.174 0.805
13 C13 C C13 N N N 0 14.121 -2.162 0.307
14 C14 C C14 N N N 0 11.844 -1.294 0.448
15 C15 C C15 N N N 0 10.847 -0.229 0.828
16 C16 C C16 N N N 0 10.157 0.296 -0.432
17 C17 C C17 N N N 0 9.16 1.361 -0.053
18 C18 C C18 N N N 0 9.611 2.789 0.114
19 C19 C C19 N N N 0 7.902 1.045 0.132
20 C20 C C20 N N N 0 7.473 -0.399 0.087
21 C21 C C21 N N N 0 6.71 -0.744 1.367
22 C22 C C22 N N N 0 6.281 -2.188 1.321
23 C23 C C23 N N N 0 7.216 -3.268 1.802
24 C24 C C24 N N N 0 5.095 -2.505 0.864
25 C25 C C25 N N N 0 4.217 -1.446 0.248
26 C26 C C26 N N N 0 3.762 -1.905 -1.139
27 C27 C C27 N N N 0 2.884 -0.847 -1.755
28 C28 C C28 N N N 0 3.503 0.287 -2.532
29 C29 C C29 N N N 0 1.583 -0.912 -1.615
30 C30 C C30 N N N 0 0.972 -1.961 -0.723
31 C31 C C31 N N N 0 0.12 -1.283 0.352
32 C32 C C32 N N N 0 -0.491 -2.332 1.245
33 C33 C C33 N N N 0 0.278 -2.851 2.432
34 C34 C C34 N N N 0 -1.69 -2.794 0.988
35 C35 C C35 N N N 0 -2.399 -2.385 -0.277
36 C36 C C36 N N N 0 -2.844 -3.635 -1.039
37 C37 C C37 N N N 0 -3.554 -3.227 -2.304
38 C38 C C38 N N N 0 -2.762 -2.942 -3.554
39 C39 C C39 N N N 0 -4.859 -3.119 -2.317
40 C40 C C40 N N N 0 -5.641 -3.274 -1.038
41 C50 C C41 R N N 0 -11.506 1.792 0.826
42 C52 C C42 R N N 0 -10.563 3.739 -0.209
43 C53 C C43 N N N 0 -9.998 5.126 0.105
44 C55 C C44 S N N 0 -11.76 3.876 -1.153
45 C57 C C45 R N N 0 -12.356 2.489 -1.415
46 C59 C C46 R N N 0 -12.741 1.851 -0.077
47 C61 C C47 N N N 0 -14.086 -0.073 0.578
48 C62 C C48 N N N 0 -14.602 -1.468 0.34
49 N60 N N1 N N N 0 -13.243 0.494 -0.308
50 O41 O O1 N N N 0 -6.646 -2.261 -0.969
51 O43 O O2 N N N 0 -8.624 -3.42 0.318
52 O44 O O3 N N N 0 -6.908 -2.022 1.53
53 O45 O O4 N N N 0 -8.57 -0.803 0.074
54 O47 O O5 N N N 0 -10.163 -0.759 2.032
55 O48 O O6 N N N 0 -8.474 1.11 1.875
56 O49 O O7 N N N 0 -10.512 0.963 0.22
57 O51 O O8 N N N 0 -10.984 3.11 1.003
58 O54 O O9 N N N 0 -8.813 4.991 0.892
59 O56 O O10 N N N 0 -11.33 4.452 -2.389
60 O58 O O11 N N N 0 -13.518 2.615 -2.237
61 O63 O O12 N N N 0 -14.428 0.54 1.567
62 P42 P P1 N N N 0 -7.67 -2.124 0.266
63 P46 P P2 N N N 0 -9.445 0.109 1.071
64 H1 H H1 N N N 0 13.233 1.468 0.21
65 H2 H H2 N N N 0 14.881 0.8 0.275
66 H3 H H3 N N N 0 18.136 0.085 -4.039
67 H4 H H4 N N N 0 19.458 1.049 -3.338
68 H5 H H5 N N N 0 18.873 -0.406 -2.496
69 H6 H H6 N N N 0 16.098 0.931 -3.866
70 H7 H H7 N N N 0 15.447 1.166 -2.226
71 H8 H H8 N N N 0 16.056 2.56 -3.15
72 H9 H H9 N N N 0 18.903 1.732 -0.839
73 H10 H H10 N N N 0 17.151 3.604 -0.309
74 H11 H H11 N N N 0 15.894 2.505 -0.925
75 H12 H H12 N N N 0 16.434 0.882 0.87
76 H13 H H13 N N N 0 17.691 1.981 1.486
77 H17 H H17 N N N 0 13.726 2.715 2.434
78 H14 H H14 N N N 0 15.972 4.775 1.949
79 H15 H H15 N N N 0 15.434 3.971 3.444
80 H16 H H16 N N N 0 17.117 3.792 2.894
81 H18 H H18 N N N 0 14.314 -0.391 2.375
82 H19 H H19 N N N 0 12.666 0.277 2.309
83 H20 H H20 N N N 0 14.191 -2.996 1.007
84 H21 H H21 N N N 0 13.82 -2.535 -0.672
85 H22 H H22 N N N 0 15.091 -1.672 0.227
86 H23 H H23 N N N 0 11.523 -2.156 -0.118
87 H24 H H24 N N N 0 10.102 -0.652 1.502
88 H25 H H25 N N N 0 11.364 0.591 1.327
89 H26 H H26 N N N 0 10.902 0.719 -1.106
90 H27 H H27 N N N 0 9.64 -0.524 -0.931
91 H28 H H28 N N N 0 9.529 3.31 -0.84
92 H29 H H29 N N N 0 8.982 3.285 0.854
93 H30 H H30 N N N 0 10.648 2.806 0.45
94 H31 H H31 N N N 0 7.173 1.82 0.317
95 H32 H H32 N N N 0 6.827 -0.559 -0.776
96 H33 H H33 N N N 0 8.354 -1.037 0.005
97 H34 H H34 N N N 0 7.356 -0.584 2.23
98 H35 H H35 N N N 0 5.83 -0.106 1.448
99 H36 H H36 N N N 0 7.054 -3.442 2.865
100 H37 H H37 N N N 0 7.024 -4.187 1.249
101 H38 H H38 N N N 0 8.247 -2.954 1.639
102 H39 H H39 N N N 0 4.746 -3.525 0.929
103 H40 H H40 N N N 0 3.345 -1.283 0.881
104 H41 H H41 N N N 0 4.779 -0.517 0.157
105 H42 H H42 N N N 0 4.634 -2.069 -1.772
106 H43 H H43 N N N 0 3.2 -2.835 -1.047
107 H44 H H44 N N N 0 3.588 0.004 -3.581
108 H45 H H45 N N N 0 2.875 1.173 -2.444
109 H46 H H46 N N N 0 4.494 0.502 -2.133
110 H47 H H47 N N N 0 0.948 -0.213 -2.14
111 H48 H H48 N N N 0 0.346 -2.625 -1.318
112 H49 H H49 N N N 0 1.765 -2.539 -0.247
113 H50 H H50 N N N 0 0.746 -0.619 0.947
114 H51 H H51 N N N 0 -0.672 -0.705 -0.124
115 H52 H H52 N N N 0 0.054 -2.239 3.306
116 H53 H H53 N N N 0 -0.011 -3.884 2.629
117 H54 H H54 N N N 0 1.346 -2.806 2.222
118 H55 H H55 N N N 0 -2.17 -3.467 1.683
119 H56 H H56 N N N 0 -3.273 -1.783 -0.026
120 H57 H H57 N N N 0 -1.723 -1.801 -0.901
121 H58 H H58 N N N 0 -1.971 -4.238 -1.29
122 H59 H H59 N N N 0 -3.521 -4.219 -0.415
123 H60 H H60 N N N 0 -2.649 -3.861 -4.13
124 H61 H H61 N N N 0 -3.286 -2.198 -4.155
125 H62 H H62 N N N 0 -1.778 -2.561 -3.281
126 H63 H H63 N N N 0 -5.376 -2.92 -3.245
127 H64 H H64 N N N 0 -6.114 -4.256 -1.018
128 H65 H H65 N N N 0 -4.968 -3.177 -0.187
129 H66 H H66 N N N 0 -11.784 1.378 1.795
130 H67 H H67 N N N 0 -9.792 3.132 -0.684
131 H68 H H68 N N N 0 -9.76 5.641 -0.826
132 H69 H H69 N N N 0 -10.739 5.703 0.659
133 H70 H H70 N N N 0 -12.514 4.516 -0.695
134 H71 H H71 N N N 0 -11.618 1.864 -1.918
135 H72 H H72 N N N 0 -13.515 2.45 0.403
136 H73 H H73 N N N 0 -14.189 -1.855 -0.591
137 H74 H H74 N N N 0 -14.302 -2.113 1.166
138 H75 H H75 N N N 0 -15.69 -1.446 0.273
139 H76 H H76 N N N 0 -12.969 0.004 -1.099
140 H77 H H77 N N N 0 -9.155 -3.55 -0.48
141 H78 H H78 N N N 0 -7.971 1.71 1.307
142 H79 H H79 N N N 0 -8.401 5.833 1.129
143 H80 H H80 N N N 0 -10.941 5.333 -2.298
144 H81 H H81 N N N 0 -13.348 3.02 -3.099