Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : RAP

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 C1 C C1 N N N 0 -0.484 -1.683 2.683
2 O1 O O1 N N N 0 -1.81 -1.848 2.486
3 O2 O O2 N N N 0 0.157 -1.068 1.87
4 C2 C C2 S N N 0 0.141 -2.297 3.893
5 C3 C C3 N N N 0 -0.601 -1.875 5.163
6 C4 C C4 N N N 0 -0.032 -2.646 6.357
7 C5 C C5 N N N 0 1.465 -2.365 6.502
8 C6 C C6 N N N 0 2.185 -2.801 5.216
9 N7 N N7 N N N 0 1.568 -2.021 4.111
10 C8 C C8 N N N 0 2.337 -1.171 3.428
11 O3 O O3 N N N 0 1.855 -0.119 3.062
12 C9 C C9 N N N 0 3.77 -1.381 3.187
13 O4 O O4 N N N 0 4.152 -2.528 3.168
14 C10 C C10 R N N 0 4.791 -0.311 2.93
15 O5 O O5 N N N 0 4.823 0.047 1.552
16 O6 O O6 N N N 0 4.468 0.84 3.719
17 C11 C C11 R N N 0 6.159 -0.84 3.375
18 C12 C C12 N N N 0 7.257 0.189 3.093
19 C13 C C13 N N N 0 7.185 0.558 1.602
20 C14 C C14 S N N 0 5.764 1.089 1.36
21 C15 C C15 N N N 0 5.666 1.814 0.038
22 C16 C C16 S N N 0 6.196 1.037 -1.164
23 O7 O O7 N N N 0 7.587 1.302 -1.344
24 C17 C C17 N N N 0 5.434 1.514 -2.38
25 C18 C C18 N N N 0 4.73 0.7 -3.151
26 C19 C C19 N N N 0 3.989 1.243 -4.289
27 C20 C C20 N N N 0 3.248 0.437 -5.077
28 C21 C C21 N N N 0 2.483 1.061 -6.158
29 C22 C C22 N N N 0 1.705 0.31 -6.932
30 C23 C C23 S N N 0 0.909 0.948 -8.04
31 C24 C C24 N N N 0 -0.47 0.289 -8.104
32 C25 C C25 R N N 0 -1.315 0.722 -6.904
33 C26 C C26 N N N 0 -2.366 -0.318 -6.611
34 O8 O O8 N N N 0 -2.48 -1.28 -7.331
35 C27 C C27 R N N 0 -3.269 -0.159 -5.415
36 O9 O O9 N N N 0 -2.468 -0.004 -4.241
37 C28 C C28 R N N 0 -4.172 -1.381 -5.26
38 O10 O O10 N N N 0 -5.276 -1.278 -6.16
39 C29 C C29 N N N 0 -4.691 -1.442 -3.839
40 C30 C C30 N N N 0 -4.242 -2.383 -3.053
41 C31 C C31 R N N 0 -4.671 -2.517 -1.614
42 C32 C C32 N N N 0 -3.652 -1.794 -0.765
43 O11 O O11 N N N 0 -3.104 -0.807 -1.204
44 C33 C C33 N N N 0 -3.308 -2.29 0.61
45 C34 C C34 S N N 0 -2.501 -1.232 1.372
46 C35 C C35 R N N 0 -3.453 -0.158 1.905
47 C36 C C36 N N N 0 -2.652 0.903 2.66
48 C37 C C37 S N N 0 -3.612 1.898 3.315
49 C38 C C38 N N N 0 -4.426 1.183 4.396
50 C39 C C39 R N N 0 -5.387 2.178 5.052
51 O12 O O12 N N N 0 -6.147 1.511 6.061
52 C40 C C40 R N N 0 -4.588 3.318 5.685
53 O13 O O13 N N N 0 -5.485 4.246 6.297
54 C41 C C41 N N N 0 -3.774 4.032 4.604
55 C42 C C42 N N N 0 -2.813 3.038 3.949
56 C43 C C43 N N N 0 6.13 -1.115 4.884
57 C44 C C44 N N N 0 5.478 2.993 -2.703
58 C45 C C45 N N N 0 1.63 0.741 -9.374
59 C46 C C46 N N N 0 -2.001 2.053 -7.22
60 C47 C C47 N N N 0 -5.693 -0.421 -3.372
61 C48 C C48 N N N 0 -4.701 -4.003 -1.236
62 C49 C C49 N N N 0 -4.191 0.496 0.735
63 C50 C C50 N N N 0 8.148 0.15 -1.976
64 C51 C C51 N N N 0 -2.214 1.394 -4.097
65 C52 C C52 N N N 0 -7.411 2.173 6.132
66 H2 H H2 N N N 0 0.033 -3.398 3.804
67 H31A H 1H3 N N N 0 -1.659 -2.105 5.052
68 H32 H 2H3 N N N 0 -0.47 -0.807 5.321
69 H41 H 1H4 N N N 0 -0.188 -3.714 6.203
70 H42 H 2H4 N N N 0 -0.55 -2.335 7.266
71 H51 H 1H5 N N N 0 1.862 -2.924 7.35
72 H52 H 2H5 N N N 0 1.624 -1.297 6.664
73 H61 H 1H6 N N N 0 2.031 -3.862 5.043
74 H62 H 2H6 N N N 0 3.244 -2.572 5.287
75 HO6 H HO6 N N N 0 3.603 1.151 3.417
76 H11 H H11 N N N 0 6.385 -1.765 2.846
77 H121 H 1H12 N N N 0 8.233 -0.241 3.32
78 H122 H 2H12 N N N 0 7.094 1.078 3.702
79 H131 H 1H13 N N N 0 7.361 -0.324 0.989
80 H132 H 2H13 N N N 0 7.916 1.33 1.369
81 H14 H H14 N N N 0 5.587 1.852 2.148
82 H151 H 1H15 N N N 0 6.225 2.747 0.124
83 H152 H 2H15 N N N 0 4.615 2.057 -0.135
84 H16 H H16 N N N 0 6.032 -0.03 -1.024
85 H18 H H18 N N N 0 4.688 -0.366 -2.967
86 H19 H H19 N N N 0 4.006 2.295 -4.542
87 H20 H H20 N N N 0 3.231 -0.625 -4.917
88 H21 H H21 N N N 0 2.555 2.128 -6.315
89 H22 H H22 N N N 0 1.655 -0.755 -6.761
90 H23 H H23 N N N 0 0.802 2.015 -7.847
91 H241 H 1H24 N N N 0 -0.357 -0.795 -8.094
92 H242 H 2H24 N N N 0 -0.975 0.591 -9.023
93 H25 H H25 N N N 0 -0.676 0.845 -6.03
94 H27 H H27 N N N 0 -3.886 0.728 -5.547
95 H28 H H28 N N N 0 -3.604 -2.286 -5.473
96 HO1 H HO1 N N N 0 -5.821 -2.066 -6.025
97 H30 H H30 N N N 0 -3.53 -3.098 -3.454
98 H332 H 2H33 N N N 0 -4.22 -2.506 1.165
99 H31 H H31 N N N 0 -5.658 -2.093 -1.448
100 H331 H 1H33 N N N 0 -2.707 -3.198 0.533
101 H34 H H34 N N N 0 -1.779 -0.777 0.698
102 H35 H H35 N N N 0 -4.176 -0.615 2.58
103 H361 H 1H36 N N N 0 -2.001 1.432 1.963
104 H362 H 2H36 N N N 0 -2.046 0.423 3.429
105 H37 H H37 N N N 0 -4.287 2.302 2.561
106 H381 H 1H38 N N N 0 -3.752 0.779 5.151
107 H382 H 2H38 N N N 0 -4.996 0.371 3.945
108 H39 H H39 N N N 0 -6.062 2.582 4.297
109 H40 H H40 N N N 0 -3.913 2.913 6.44
110 HO3 H HO3 N N N 0 -4.942 4.947 6.683
111 H411 H 1H41 N N N 0 -3.204 4.844 5.055
112 H412 H 2H41 N N N 0 -4.448 4.437 3.849
113 H421 H 1H42 N N N 0 -2.138 2.633 4.704
114 H422 H 2H42 N N N 0 -2.233 3.547 3.179
115 H431 H 1H43 N N N 0 7.098 -1.504 5.201
116 H432 H 2H43 N N N 0 5.919 -0.188 5.418
117 H433 H 3H43 N N N 0 5.354 -1.847 5.106
118 H441 H 1H44 N N N 0 5.973 3.141 -3.662
119 H442 H 2H44 N N N 0 4.462 3.384 -2.754
120 H443 H 3H44 N N N 0 6.03 3.519 -1.924
121 H451 H 1H45 N N N 0 2.614 1.209 -9.332
122 H452 H 2H45 N N N 0 1.744 -0.326 -9.564
123 H453 H 3H45 N N N 0 1.047 1.192 -10.176
124 H461 H 1H46 N N N 0 -2.599 2.366 -6.364
125 H462 H 2H46 N N N 0 -1.246 2.81 -7.432
126 H463 H 3H46 N N N 0 -2.648 1.931 -8.089
127 H471 H 1H47 N N N 0 -5.946 -0.612 -2.329
128 H472 H 2H47 N N N 0 -5.264 0.577 -3.465
129 H473 H 3H47 N N N 0 -6.592 -0.488 -3.983
130 H481 H 1H48 N N N 0 -5.438 -4.52 -1.851
131 H482 H 2H48 N N N 0 -3.717 -4.441 -1.404
132 H483 H 3H48 N N N 0 -4.97 -4.105 -0.185
133 H491 H 1H49 N N N 0 -3.466 0.867 0.011
134 H492 H 2H49 N N N 0 -4.838 -0.239 0.256
135 H493 H 3H49 N N N 0 -4.794 1.325 1.104
136 H501 H 1H50 N N N 0 9.215 0.306 -2.135
137 H502 H 2H50 N N N 0 7.999 -0.722 -1.34
138 H503 H 3H50 N N N 0 7.658 -0.012 -2.936
139 H511 H 1H51 N N N 0 -1.603 1.563 -3.21
140 H512 H 2H51 N N N 0 -1.686 1.76 -4.977
141 H513 H 3H51 N N N 0 -3.16 1.926 -3.993
142 H521 H 1H52 N N N 0 -8.029 1.697 6.893
143 H522 H 2H52 N N N 0 -7.259 3.221 6.391
144 H523 H 3H52 N N N 0 -7.911 2.107 5.165