Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : AB1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 94


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 -8.08 1.42 -1.368
2 C2 C C2 N N N 0 -6.591 -0.544 -1.711
3 N1 N N1 N N N 0 -5.463 0.351 -1.45
4 C3 C C3 N N N 0 -5.652 1.648 -1.166
5 N2 N N2 N N N 0 -6.871 2.208 -1.125
6 C4 C C4 N Y N 0 3.144 3.169 1.052
7 C5 C C5 N Y N 0 4.081 2.994 0.052
8 C6 C C6 N Y N 0 5.404 3.326 0.278
9 C7 C C7 N Y N 0 5.789 3.834 1.504
10 C8 C C8 N Y N 0 4.851 4.011 2.505
11 C9 C C9 N Y N 0 3.528 3.682 2.277
12 O1 O O1 N N N 0 -4.681 2.346 -0.947
13 C10 C C10 S N N 0 -4.099 -0.182 -1.493
14 C11 C C11 N N N 0 -3.491 -0.121 -0.116
15 N3 N N3 N N N 0 -2.284 -0.673 0.114
16 C12 C C12 S N N 0 -1.754 -0.736 1.478
17 C13 C C13 N N N 0 -3.256 0.652 -2.46
18 C14 C C14 N N N 0 -1.882 0.0 -2.632
19 C15 C C15 N N N 0 -3.959 0.724 -3.817
20 O2 O O2 N N N 0 -4.089 0.427 0.787
21 C16 C C16 N Y N 0 -5.547 -3.147 1.273
22 C17 C C17 N Y N 0 -6.197 -2.802 2.444
23 C18 C C18 N Y N 0 -5.487 -2.241 3.489
24 C19 C C19 N Y N 0 -4.127 -2.028 3.365
25 C20 C C20 N Y N 0 -3.478 -2.368 2.193
26 C21 C C21 N Y N 0 -4.188 -2.93 1.148
27 C22 C C22 N N N 0 -1.996 -2.131 2.056
28 C23 C C23 N N N 0 -0.251 -0.447 1.455
29 C24 C C24 S N N 0 -0.019 1.014 1.065
30 C25 C C25 S N N 0 1.469 1.346 1.197
31 N4 N N4 N N N 0 2.244 0.474 0.311
32 C26 C C26 N N N 0 3.536 0.208 0.589
33 C27 C C27 N N N 0 4.334 -0.689 -0.322
34 O3 O O3 N N N 0 5.665 -0.817 0.181
35 C28 C C28 N Y N 0 6.333 -1.632 -0.677
36 O4 O O4 N N N 0 -0.434 1.217 -0.287
37 C29 C C29 N N N 0 1.702 2.807 0.806
38 O5 O O5 N N N 0 4.056 0.69 1.573
39 C30 C C30 N Y N 0 7.01 -1.094 -1.761
40 C31 C C31 N Y N 0 7.688 -1.924 -2.632
41 C32 C C32 N Y N 0 7.692 -3.291 -2.424
42 C33 C C33 N Y N 0 7.018 -3.83 -1.344
43 C34 C C34 N Y N 0 6.343 -3.003 -0.467
44 C35 C C35 N N N 0 5.608 -3.591 0.71
45 C36 C C36 N N N 0 7.007 0.396 -1.989
46 C37 C C37 N N N 0 -7.744 0.263 -2.316
47 H2 H H2 N N N 0 -8.843 2.053 -1.821
48 H3 H H3 N N N 0 -8.45 1.021 -0.423
49 H4 H H4 N N N 0 -6.285 -1.322 -2.411
50 H5 H H5 N N N 0 -6.917 -1.002 -0.777
51 H8 H H8 N N N 0 -6.952 3.154 -0.927
52 H30 H H30 N N N 0 3.78 2.597 -0.906
53 H31 H H31 N N N 0 6.136 3.188 -0.504
54 H32 H H32 N N N 0 6.822 4.093 1.681
55 H33 H H33 N N N 0 5.152 4.407 3.463
56 H34 H H34 N N N 0 2.795 3.82 3.059
57 H9 H H9 N N N 0 -4.124 -1.218 -1.833
58 H15 H H15 N N N 0 -1.765 -1.03 -0.625
59 H16 H H16 N N N 0 -2.257 0.007 2.097
60 H10 H H10 N N N 0 -3.133 1.658 -2.06
61 H11 H H11 N N N 0 -1.315 0.542 -3.388
62 H12 H H12 N N N 0 -1.345 0.029 -1.684
63 H47 H H47 N N N 0 -2.009 -1.036 -2.946
64 H13 H H13 N N N 0 -4.896 1.27 -3.712
65 H14 H H14 N N N 0 -3.317 1.239 -4.532
66 H48 H H48 N N N 0 -4.164 -0.285 -4.175
67 H20 H H20 N N N 0 -6.102 -3.585 0.457
68 H21 H H21 N N N 0 -7.259 -2.971 2.541
69 H22 H H22 N N N 0 -5.995 -1.971 4.403
70 H23 H H23 N N N 0 -3.573 -1.59 4.182
71 H19 H H19 N N N 0 -3.68 -3.199 0.234
72 H17 H H17 N N N 0 -1.569 -2.88 1.389
73 H26 H H26 N N N 0 -0.596 1.663 1.724
74 H18 H H18 N N N 0 -1.525 -2.206 3.036
75 H24 H H24 N N N 0 0.169 -0.63 2.444
76 H25 H H25 N N N 0 0.233 -1.099 0.728
77 H27 H H27 N N N 0 1.786 1.191 2.228
78 H35 H H35 N N N 0 1.828 0.089 -0.476
79 H36 H H36 N N N 0 3.866 -1.672 -0.365
80 H37 H H37 N N N 0 4.364 -0.256 -1.322
81 H1 H H1 N N N 0 0.096 0.623 -0.835
82 H28 H H28 N N N 0 1.468 2.942 -0.25
83 H29 H H29 N N N 0 1.058 3.451 1.406
84 H41 H H41 N N N 0 8.216 -1.506 -3.477
85 H42 H H42 N N N 0 8.223 -3.939 -3.106
86 H43 H H43 N N N 0 7.022 -4.898 -1.183
87 H44 H H44 N N N 0 6.28 -3.648 1.567
88 H45 H H45 N N N 0 4.755 -2.959 0.958
89 H46 H H46 N N N 0 5.257 -4.591 0.456
90 H38 H H38 N N N 0 7.854 0.845 -1.47
91 H39 H H39 N N N 0 7.085 0.601 -3.057
92 H40 H H40 N N N 0 6.079 0.82 -1.605
93 H6 H H6 N N N 0 -7.444 0.661 -3.285
94 H7 H H7 N N N 0 -8.618 -0.378 -2.435