Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : G40

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 103


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 R N N 0 -3.034 0.929 0.104
2 C2 C C2 N N N 0 -4.44 1.301 -0.292
3 O3 O O3 N N N 0 -4.681 2.419 -0.696
4 N4 N N4 N N N 0 -5.43 0.391 -0.199
5 C5 C C5 S N N 0 -6.796 0.752 -0.583
6 C6 C C6 N N N 0 -6.967 0.566 -2.092
7 C7 C C7 N N N 0 -6.763 -0.907 -2.451
8 C8 C C8 N N N 0 -8.376 1.001 -2.503
9 C9 C C9 N N N 0 -10.0 -0.578 1.033
10 N10 N N10 N N N 0 -9.07 0.228 0.238
11 C11 C C11 N N N 0 -7.774 -0.132 0.146
12 O12 O O12 N N N 0 -7.396 -1.168 0.65
13 C13 C C13 N N N 0 -5.935 1.419 -2.832
14 C15 C C15 N N N 0 -2.863 1.115 1.612
15 C16 C C16 N Y N 0 -3.887 0.282 2.341
16 C17 C C17 N Y N 0 -3.614 -1.038 2.645
17 C18 C C18 N Y N 0 -4.553 -1.802 3.313
18 C19 C C19 N Y N 0 -5.765 -1.245 3.676
19 C20 C C20 N Y N 0 -6.037 0.076 3.373
20 C21 C C21 N Y N 0 -5.097 0.84 2.709
21 O22 O O22 N N N 0 -2.789 -0.437 -0.239
22 C23 C C23 N N N 0 -2.041 1.827 -0.637
23 C24 C C24 N N N 0 -0.614 1.452 -0.232
24 C25 C C25 N N N 0 0.373 2.415 -0.893
25 N26 N N26 N N N 0 1.747 1.985 -0.6
26 C27 C C27 N N N 0 2.721 2.98 -1.07
27 C28 C C28 N Y N 0 4.106 2.565 -0.645
28 C29 C C29 N Y N 0 4.871 1.764 -1.474
29 C30 C C30 N Y N 0 6.14 1.382 -1.09
30 C31 C C31 N Y N 0 6.651 1.804 0.135
31 C32 C C32 N Y N 0 5.877 2.611 0.967
32 C33 C C33 N Y N 0 4.611 2.992 0.57
33 C35 C C35 N N N 0 1.066 -2.283 -1.233
34 C36 C C36 N N N 0 5.273 -5.472 -0.086
35 O37 O O37 N N N 0 4.524 -4.355 0.46
36 C38 C C38 N N N 0 3.865 -3.573 -0.417
37 O39 O O39 N N N 0 3.916 -3.818 -1.606
38 N40 N N40 N N N 0 3.151 -2.519 0.024
39 C41 C C41 S N N 0 2.435 -1.669 -0.93
40 C42 C C42 N N N 0 2.249 -0.296 -0.338
41 N43 N N43 N N N 0 2.001 0.757 -1.142
42 O44 O O44 N N N 0 2.322 -0.138 0.863
43 C45 C C45 N N N 0 0.205 -2.257 0.031
44 C46 C C46 N N N 0 0.379 -1.476 -2.336
45 C47 C C47 N N N 0 1.248 -3.729 -1.698
46 S54 S S54 N Y N 0 10.338 0.354 0.62
47 C55 C C55 N Y N 0 8.808 0.619 -0.206
48 C56 C C56 N Y N 0 8.015 1.396 0.554
49 C57 C C57 N Y N 0 8.58 1.786 1.767
50 C58 C C58 N Y N 0 9.812 1.331 1.983
51 H151 H H151 N N N 0 -1.862 0.799 1.906
52 H152 H H152 N N N 0 -3.002 2.165 1.867
53 H22 H H22 N N N 0 -2.88 -0.628 -1.183
54 H231 H H231 N N N 0 -2.161 1.692 -1.712
55 H232 H H232 N N N 0 -2.231 2.868 -0.378
56 H4 H H4 N N N 0 -5.237 -0.504 0.124
57 H5 H H5 N N N 0 -6.984 1.794 -0.322
58 H71C H H71C N N N 0 -7.499 -1.515 -1.924
59 H72C H H72C N N N 0 -6.885 -1.039 -3.526
60 H73C H H73C N N N 0 -5.76 -1.216 -2.158
61 H81C H H81C N N N 0 -8.518 2.053 -2.257
62 H82C H H82C N N N 0 -8.501 0.859 -3.577
63 H83C H H83C N N N 0 -9.112 0.399 -1.969
64 H131 H H131 N N N 0 -4.931 1.11 -2.539
65 H132 H H132 N N N 0 -6.056 1.287 -3.907
66 H133 H H133 N N N 0 -6.08 2.469 -2.576
67 H91C H H91C N N N 0 -10.036 -1.591 0.633
68 H92C H H92C N N N 0 -9.66 -0.608 2.069
69 H93C H H93C N N N 0 -10.994 -0.134 0.989
70 H10 H H10 N N N 0 -9.387 1.021 -0.222
71 H17 H H17 N N N 0 -2.667 -1.474 2.361
72 H21 H H21 N N N 0 -5.308 1.873 2.475
73 H18 H H18 N N N 0 -4.34 -2.834 3.55
74 H19 H H19 N N N 0 -6.499 -1.842 4.198
75 H20 H H20 N N N 0 -6.984 0.511 3.657
76 H241 H H241 N N N 0 -0.515 1.517 0.852
77 H242 H H242 N N N 0 -0.4 0.433 -0.555
78 H251 H H251 N N N 0 0.214 2.415 -1.972
79 H252 H H252 N N N 0 0.216 3.421 -0.503
80 H271 H H271 N N N 0 2.679 3.045 -2.157
81 H272 H H272 N N N 0 2.484 3.952 -0.638
82 H43 H H43 N N N 0 2.004 0.643 -2.105
83 H29 H H29 N N N 0 4.473 1.437 -2.424
84 H33 H H33 N N N 0 4.011 3.621 1.212
85 H30 H H30 N N N 0 6.736 0.756 -1.738
86 H32 H H32 N N N 0 6.268 2.941 1.918
87 H41 H H41 N N N 0 3.011 -1.592 -1.852
88 H451 H H451 N N N 0 0.075 -1.227 0.361
89 H452 H H452 N N N 0 -0.77 -2.695 -0.186
90 H453 H H453 N N N 0 0.695 -2.832 0.816
91 H461 H H461 N N N 0 0.998 -1.485 -3.233
92 H462 H H462 N N N 0 -0.591 -1.919 -2.56
93 H463 H H463 N N N 0 0.239 -0.448 -2.001
94 H471 H H471 N N N 0 1.738 -4.304 -0.912
95 H472 H H472 N N N 0 0.273 -4.167 -1.914
96 H473 H H473 N N N 0 1.862 -3.747 -2.598
97 H361 H H361 N N N 0 4.595 -6.138 -0.621
98 H362 H H362 N N N 0 6.032 -5.099 -0.774
99 H363 H H363 N N N 0 5.754 -6.019 0.725
100 H40 H H40 N N N 0 3.111 -2.324 0.973
101 H55 H H55 N N N 0 8.546 0.22 -1.175
102 H58 H H58 N N N 0 10.401 1.533 2.865
103 H57 H H57 N N N 0 8.059 2.411 2.477