Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : WA3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 147


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 S N N 0 6.93 -4.035 0.555
2 N1 N N1 N Y N 0 3.678 3.376 1.271
3 S1 S S1 N N N 0 8.208 -4.43 -0.671
4 C2 C C2 R N N 0 5.861 -5.131 0.55
5 N2 N N2 N Y N 0 2.991 2.536 0.578
6 O2 O O1 N N N 0 5.227 -5.173 -0.73
7 S2 S S2 N N N 0 7.062 0.796 -0.381
8 C3 C C3 S N N 0 4.819 -4.822 1.628
9 N3 N N3 N Y N 0 3.727 2.005 -0.333
10 O3 O O2 N N N 0 3.857 -5.877 1.68
11 S3 S S3 N N N 0 -7.068 0.795 0.379
12 C4 C C4 R N N 0 5.522 -4.703 2.984
13 N4 N N4 N Y N 0 -3.684 3.379 -1.267
14 O4 O O3 N N N 0 6.122 -5.955 3.322
15 S4 S S4 N N N 0 -8.204 -4.433 0.672
16 C5 C C5 R N N 0 6.604 -3.624 2.895
17 N5 N N5 N Y N 0 -3.0 2.535 -0.577
18 O5 O O4 N N N 0 7.523 -3.957 1.853
19 C6 C C6 N N N 0 7.352 -3.54 4.228
20 N6 N N6 N Y N 0 -3.738 2.004 0.333
21 O6 O O5 N N N 0 8.282 -2.456 4.185
22 C7 C C7 S N N 0 9.281 -2.969 -0.626
23 C8 C C8 R N N 0 10.495 -3.199 -1.531
24 O8 O O6 N N N 0 11.255 -4.305 -1.038
25 C9 C C9 S N N 0 11.366 -1.939 -1.535
26 O9 O O7 N N N 0 12.462 -2.118 -2.434
27 C10 C C10 S N N 0 10.518 -0.748 -1.992
28 O10 O O8 N N N 0 11.3 0.447 -1.93
29 C11 C C11 S N N 0 9.304 -0.612 -1.069
30 O11 O O9 N N N 0 8.554 -1.829 -1.088
31 C12 C C12 N N N 0 8.42 0.539 -1.555
32 C13 C C13 N N N 0 6.142 2.175 -1.117
33 C14 C C14 N Y N 0 4.961 2.514 -0.243
34 C15 C C15 N Y N 0 4.938 3.4 0.78
35 C16 C C16 N N N 0 3.179 4.173 2.394
36 C17 C C17 R N N 0 1.954 4.974 1.947
37 O17 O O10 N N N 0 0.892 4.077 1.62
38 C18 C C18 S N N 0 1.507 5.9 3.082
39 O18 O O11 N N N 0 2.547 6.836 3.372
40 C19 C C19 S N N 0 0.246 6.653 2.649
41 O19 O O12 N N N 0 -0.22 7.465 3.728
42 C20 C C20 R N N 0 -0.836 5.639 2.266
43 O20 O O13 N N N 0 -1.992 6.33 1.791
44 C21 C C21 R N N 0 -0.298 4.723 1.163
45 O21 O O14 N N N 0 -0.002 5.501 0.001
46 C22 C C22 R N N 0 0.294 4.721 -1.16
47 C23 C C23 R N N 0 0.832 5.634 -2.265
48 O24 O O16 N N N 0 0.22 7.459 -3.73
49 O23 O O15 N N N 0 1.99 6.325 -1.791
50 C24 C C24 S N N 0 -0.248 6.65 -2.649
51 C25 C C25 S N N 0 -1.51 5.898 -3.081
52 O25 O O17 N N N 0 -2.548 6.835 -3.374
53 C26 C C26 R N N 0 -1.959 4.974 -1.945
54 O26 O O18 N N N 0 -0.897 4.076 -1.616
55 C27 C C27 N N N 0 -3.184 4.174 -2.391
56 C28 C C28 N Y N 0 -4.946 3.401 -0.779
57 C29 C C29 N Y N 0 -4.97 2.517 0.245
58 C30 C C30 N N N 0 -6.153 2.177 1.115
59 C31 C C31 N N N 0 -8.429 0.537 1.549
60 C32 C C32 S N N 0 -9.309 -0.616 1.062
61 C34 C C34 S N N 0 -11.37 -1.947 1.523
62 O32 O O19 N N N 0 -8.557 -1.832 1.085
63 C33 C C33 S N N 0 -10.526 -0.753 1.981
64 O33 O O20 N N N 0 -11.31 0.439 1.916
65 O34 O O21 N N N 0 -12.468 -2.127 2.419
66 C35 C C35 R N N 0 -10.496 -3.205 1.523
67 O35 O O22 N N N 0 -11.253 -4.312 1.029
68 C36 C C36 S N N 0 -9.281 -2.974 0.622
69 C37 C C37 S N N 0 -6.924 -4.037 -0.551
70 C38 C C38 R N N 0 -5.853 -5.131 -0.541
71 O38 O O23 N N N 0 -5.221 -5.169 0.74
72 C39 C C39 S N N 0 -4.808 -4.821 -1.617
73 O39 O O24 N N N 0 -3.844 -5.875 -1.665
74 C40 C C40 R N N 0 -5.508 -4.705 -2.975
75 O40 O O25 N N N 0 -6.105 -5.959 -3.312
76 C41 C C41 S N N 0 -6.592 -3.628 -2.891
77 O41 O O26 N N N 0 -7.514 -3.962 -1.851
78 C42 C C42 N N N 0 -7.337 -3.548 -4.225
79 O42 O O27 N N N 0 -8.269 -2.466 -4.187
80 HC1 H H1 N N N 0 6.471 -3.078 0.307
81 HC2 H H2 N N N 0 6.326 -6.095 0.758
82 HO2 H H3 N N N 0 5.83 -5.359 -1.462
83 HC3 H H4 N N N 0 4.318 -3.883 1.393
84 HO3 H H5 N N N 0 3.377 -6.014 0.852
85 HC4 H H6 N N N 0 4.796 -4.428 3.749
86 HO4 H H7 N N N 0 5.493 -6.687 3.391
87 HC5 H H8 N N N 0 6.141 -2.661 2.678
88 HC6B H H9 N N N 0 6.639 -3.375 5.035
89 HC6A H H10 N N N 0 7.889 -4.473 4.402
90 HO6 H H11 N N N 0 8.793 -2.344 4.998
91 HC7 H H12 N N N 0 9.618 -2.796 0.396
92 HC8 H H13 N N N 0 10.158 -3.412 -2.545
93 HO8 H H14 N N N 0 10.763 -5.136 -1.004
94 HC9 H H15 N N N 0 11.743 -1.753 -0.529
95 HO9 H H16 N N N 0 13.042 -2.857 -2.204
96 HC10 H H17 N N N 0 10.182 -0.911 -3.016
97 HO10 H H18 N N N 0 12.09 0.428 -2.488
98 HC11 H H19 N N N 0 9.64 -0.408 -0.053
99 H12A H H20 N N N 0 8.012 0.295 -2.536
100 H12B H H21 N N N 0 9.016 1.449 -1.626
101 H13B H H22 N N N 0 6.794 3.044 -1.199
102 H13A H H23 N N N 0 5.79 1.89 -2.108
103 HC15 H H24 N N N 0 5.761 4.004 1.133
104 H1 H H25 N N N 0 2.901 3.512 3.214
105 H2 H H26 N N N 0 3.959 4.858 2.728
106 HC17 H H27 N N N 0 2.21 5.57 1.071
107 HC18 H H28 N N N 0 1.291 5.307 3.971
108 HO18 H H29 N N N 0 2.332 7.455 4.083
109 HC19 H H30 N N N 0 0.475 7.284 1.789
110 HO19 H H31 N N N 0 -1.018 7.971 3.524
111 HC20 H H32 N N N 0 -1.1 5.041 3.138
112 HO20 H H33 N N N 0 -2.719 5.748 1.53
113 HC21 H H34 N N N 0 -1.048 3.972 0.916
114 HC22 H H35 N N N 0 1.043 3.969 -0.912
115 HC23 H H36 N N N 0 1.096 5.035 -3.136
116 HO23 H H37 N N N 0 2.714 5.742 -1.525
117 HC24 H H38 N N N 0 -0.476 7.282 -1.791
118 HO24 H H39 N N N 0 1.022 7.96 -3.528
119 HC25 H H40 N N N 0 -1.294 5.304 -3.969
120 HO25 H H41 N N N 0 -2.329 7.455 -4.083
121 HC26 H H42 N N N 0 -2.213 5.572 -1.07
122 H3 H H43 N N N 0 -2.907 3.511 -3.211
123 H4 H H44 N N N 0 -3.963 4.86 -2.726
124 HC28 H H45 N N N 0 -5.769 4.004 -1.136
125 H30B H H46 N N N 0 -6.807 3.045 1.194
126 H30A H H47 N N N 0 -5.803 1.893 2.108
127 H31A H H48 N N N 0 -8.023 0.294 2.531
128 H31B H H49 N N N 0 -9.027 1.446 1.617
129 HC32 H H50 N N N 0 -9.643 -0.414 0.045
130 HC33 H H51 N N N 0 -10.192 -0.915 3.006
131 HO33 H H52 N N N 0 -12.099 0.422 2.474
132 HC34 H H53 N N N 0 -11.746 -1.763 0.517
133 HO34 H H54 N N N 0 -13.046 -2.868 2.189
134 HC37 H H58 N N N 0 -6.468 -3.079 -0.303
135 HC35 H H55 N N N 0 -10.163 -3.417 2.539
136 HO35 H H56 N N N 0 -10.762 -5.144 1.001
137 HC36 H H57 N N N 0 -9.614 -2.803 -0.401
138 HC38 H H59 N N N 0 -6.315 -6.096 -0.749
139 HO38 H H60 N N N 0 -5.826 -5.356 1.471
140 HC39 H H61 N N N 0 -4.309 -3.881 -1.382
141 HO39 H H62 N N N 0 -3.366 -6.009 -0.835
142 HC40 H H63 N N N 0 -4.779 -4.432 -3.738
143 HO40 H H64 N N N 0 -5.475 -6.69 -3.378
144 HC41 H H65 N N N 0 -6.131 -2.664 -2.673
145 H42A H H66 N N N 0 -6.621 -3.383 -5.031
146 H42B H H67 N N N 0 -7.871 -4.482 -4.4
147 HO42 H H68 N N N 0 -8.778 -2.356 -5.002