Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : TA1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 113


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C01 S N N 0 -0.438 1.728 1.715
2 C02 C C02 S N N 0 -1.02 0.589 2.581
3 C03 C C03 N N N 0 -3.425 0.84 2.217
4 C04 C C04 N Y N 0 -4.682 0.461 1.54
5 C05 C C05 N Y N 0 -5.875 1.111 1.861
6 C06 C C06 N Y N 0 -7.045 0.753 1.224
7 C07 C C07 N Y N 0 -7.038 -0.248 0.27
8 C08 C C08 N Y N 0 -5.86 -0.896 -0.053
9 C09 C C09 N Y N 0 -4.681 -0.544 0.571
10 C10 C C10 R N N 0 -0.107 -0.631 2.658
11 C11 C C11 S N N 0 -0.707 -1.845 1.997
12 C12 C C12 N N N 0 -0.894 -2.83 -0.218
13 C13 C C13 N N N 0 -0.605 -2.818 -1.697
14 C14 C C14 N N N 0 -2.126 -2.235 2.413
15 C15 C C15 R N N 0 -0.396 -3.24 2.522
16 C16 C C16 N N N 0 0.829 -3.293 3.435
17 C17 C C17 S N N 0 0.653 -2.22 4.503
18 C18 C C18 S N N 0 0.741 -0.827 3.87
19 C19 C C19 N N N 0 0.251 0.043 5.016
20 C20 C C20 N N N 0 2.208 -0.525 3.697
21 C21 C C21 R N N 0 2.695 0.884 3.424
22 C22 C C22 N N N 0 3.729 1.74 5.427
23 C23 C C23 N N N 0 3.704 2.611 6.656
24 C24 C C24 N N N 0 1.889 1.358 2.25
25 C25 C C25 N N N 0 2.141 0.83 1.055
26 C26 C C26 S N N 0 1.263 1.206 -0.115
27 C27 C C27 N N N 0 2.37 0.289 -2.075
28 C28 C C28 R N N 0 2.519 -0.769 -3.136
29 C29 C C29 S N N 0 1.227 -0.861 -3.951
30 C30 C C30 N N N 0 -0.313 0.811 -4.825
31 C31 C C31 N Y N 0 -0.586 2.115 -5.465
32 C32 C C32 N Y N 0 -1.9 2.512 -5.715
33 C33 C C33 N Y N 0 -2.148 3.731 -6.312
34 C34 C C34 N Y N 0 -1.097 4.559 -6.664
35 C35 C C35 N Y N 0 0.208 4.171 -6.42
36 C36 C C36 N Y N 0 0.469 2.958 -5.818
37 C37 C C37 N Y N 0 1.377 -1.92 -5.012
38 C38 C C38 N Y N 0 0.523 -3.008 -5.029
39 C39 C C39 N Y N 0 0.661 -3.979 -6.002
40 C40 C C40 N Y N 0 1.651 -3.863 -6.96
41 C41 C C41 N Y N 0 2.504 -2.776 -6.944
42 C42 C C42 N Y N 0 2.364 -1.802 -5.973
43 C43 C C43 N N N 0 -0.203 1.277 0.287
44 C44 C C44 N N N 0 3.301 -0.122 0.837
45 C45 C C45 N N N 0 0.801 2.375 2.311
46 C46 C C46 N N N 0 1.19 3.61 1.477
47 C47 C C47 N N N 0 0.473 2.895 3.706
48 H011 H 1H01 N N N 0 -2.231 2.357 1.262
49 H021 H 1H02 N N N 0 -1.335 0.98 3.543
50 H051 H 1H05 N N N 0 -5.882 1.893 2.607
51 H061 H 1H06 N N N 0 -7.969 1.255 1.472
52 H071 H 1H07 N N N 0 -0.601 -3.235 5.57
53 H081 H 1H08 N N N 0 -5.861 -1.677 -0.798
54 H091 H 1H09 N N N 0 -3.762 -1.051 0.318
55 H101 H 1H10 N N N 0 0.663 -0.382 1.891
56 H131 H 1H13 N N N 0 -0.96 -3.746 -2.144
57 H132 H 2H13 N N N 0 -1.114 -1.973 -2.16
58 H133 H 3H13 N N N 0 0.469 -2.726 -1.856
59 H141 H 1H14 N N N 0 -2.737 -2.608 1.585
60 H142 H 2H14 N N N 0 -2.663 -1.487 3.003
61 H151 H 1H15 N N N 0 -0.346 -3.99 1.73
62 H161 H 1H16 N N N 0 1.728 -3.105 2.851
63 H162 H 2H16 N N N 0 0.893 -4.278 3.9
64 H171 H 1H17 N N N 0 1.471 -2.297 5.227
65 H191 H 1H19 N N N 0 0.676 1.043 4.92
66 H192 H 2H19 N N N 0 -0.836 0.106 4.985
67 H193 H 3H19 N N N 0 0.563 -0.393 5.964
68 H211 H 1H21 N N N 0 3.767 0.825 3.121
69 H231 H 1H23 N N N 0 4.642 2.499 7.2
70 H232 H 2H23 N N N 0 3.577 3.653 6.361
71 H233 H 3H23 N N N 0 2.874 2.311 7.297
72 H261 H 1H26 N N N 0 1.59 2.147 -0.554
73 H281 H 1H28 N N N 0 2.72 -1.731 -2.664
74 H291 H 1H29 N N N 0 0.4 -1.122 -3.291
75 H321 H 1H32 N N N 0 -2.722 1.867 -5.441
76 H331 H 1H33 N N N 0 -3.165 4.039 -6.506
77 H341 H 1H34 N N N 0 -1.296 5.511 -7.132
78 H351 H 1H35 N N N 0 1.024 4.822 -6.697
79 H361 H 1H36 N N N 0 1.489 2.656 -5.627
80 H381 H 1H38 N N N 0 -0.249 -3.098 -4.28
81 H391 H 1H39 N N N 0 -0.0050 -4.829 -6.015
82 H401 H 1H40 N N N 0 1.758 -4.623 -7.72
83 H411 H 1H41 N N N 0 3.278 -2.685 -7.692
84 H421 H 1H42 N N N 0 3.03 -0.952 -5.96
85 H431 H 1H43 N N N 0 -0.675 0.312 0.123
86 H432 H 2H43 N N N 0 -0.704 1.993 -0.38
87 H441 H 1H44 N N N 0 3.335 -0.419 -0.21
88 H442 H 2H44 N N N 0 4.234 0.374 1.104
89 H443 H 3H44 N N N 0 3.169 -1.005 1.461
90 H461 H 1H46 N N N 0 1.204 3.344 0.42
91 H462 H 2H46 N N N 0 0.462 4.404 1.643
92 H463 H 3H46 N N N 0 2.179 3.955 1.779
93 H471 H 1H47 N N N 0 1.398 3.119 4.237
94 H472 H 2H47 N N N 0 -0.127 3.801 3.624
95 H473 H 3H47 N N N 0 -0.085 2.136 4.254
96 HC71 H 1HC7 N N N 0 -7.957 -0.524 -0.225
97 HN01 H 1HN0 N N N 0 1.692 1.013 -4.833
98 HO11 H 1HO1 N N N 0 3.387 0.427 -4.398
99 N01 N N01 N N N 0 0.957 0.431 -4.585
100 O01 O O01 N N N 0 -1.446 2.756 1.663
101 O02 O O02 N N N 0 -2.275 0.211 1.905
102 O03 O O03 N N N 0 -3.428 1.719 3.056
103 O04 O O04 N N N 0 -0.542 -1.783 0.543
104 O05 O O05 N N N 0 -1.443 -3.783 0.282
105 O06 O O06 N N N 0 -1.623 -3.281 3.252
106 O07 O O07 N N N 0 -0.584 -2.348 5.187
107 O08 O O08 N N N 0 3.02 -1.439 3.787
108 O09 O O09 N N N 0 2.672 1.717 4.599
109 O10 O O10 N N N 0 4.7 1.063 5.185
110 O11 O O11 N N N 0 1.408 0.177 -1.145
111 O12 O O12 N N N 0 3.116 1.24 -2.061
112 O13 O O13 N N N 0 3.604 -0.427 -4.001
113 O14 O O14 N N N 0 -1.234 0.082 -4.515