Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : TUM

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 117


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N N N 0 3.753 2.686 0.459
2 C5 C C2 N N N 0 2.409 2.524 -0.116
3 C8 C C3 R N N 0 -0.019 2.493 0.097
4 C13 C C4 R N N 0 -2.72 1.512 0.358
5 C15 C C5 R N N 0 -5.18 1.807 0.675
6 C17 C C6 R N N 0 -6.559 1.411 0.143
7 C20 C C7 R N N 0 -8.458 0.781 1.536
8 C22 C C8 S N N 0 -7.659 2.011 1.039
9 C26 C C9 N N N 0 -7.543 -3.311 2.524
10 O6 O O1 N N N 0 2.279 2.274 -1.299
11 N7 N N1 N N N 0 1.32 2.654 0.669
12 C9 C C10 R N N 0 -1.036 3.256 0.951
13 O10 O O2 N N N 0 -0.737 4.653 0.917
14 C11 C C11 R N N 0 -2.44 3.017 0.389
15 O12 O O3 N N N 0 -2.52 3.544 -0.937
16 C14 C C12 N N N 0 -4.097 1.261 -0.258
17 O16 O O4 N N N 0 -5.084 3.231 0.735
18 O18 O O5 N N N 0 -6.707 -0.019 0.185
19 C19 C C13 R N N 0 -8.094 -0.291 0.477
20 O21 O O6 N N N 0 -9.861 1.048 1.53
21 O23 O O7 N N N 0 -8.501 2.882 0.282
22 N24 N N2 N N N 0 -8.25 -1.638 1.031
23 C25 C C14 N N N 0 -7.4 -2.069 2.012
24 C27 C C15 N N N 0 -8.577 -4.143 2.031
25 O28 O O8 N N N 0 -8.727 -5.266 2.476
26 N29 N N3 N N N 0 -9.395 -3.68 1.063
27 C30 C C16 N N N 0 -9.229 -2.438 0.572
28 O31 O O9 N N N 0 -9.974 -2.034 -0.3
29 O32 O O10 N N N 0 -1.72 0.859 -0.427
30 C33 C C17 S N N 0 -0.391 1.008 0.077
31 O34 O O11 N N N 0 0.52 0.299 -0.764
32 C35 C C18 R N N 0 0.331 -1.117 -0.761
33 O36 O O12 N N N 0 -0.852 -1.442 -1.494
34 C37 C C19 R N N 0 -0.835 -1.0 -2.853
35 C38 C C20 N N N 0 -2.156 -1.375 -3.528
36 O39 O O13 N N N 0 -3.225 -0.648 -2.919
37 C40 C C21 S N N 0 0.324 -1.673 -3.593
38 O41 O O14 N N N 0 0.379 -1.189 -4.937
39 C42 C C22 R N N 0 1.637 -1.342 -2.876
40 O43 O O15 N N N 0 2.717 -2.025 -3.516
41 C44 C C23 R N N 0 1.538 -1.795 -1.417
42 N45 N N4 N N N 0 2.76 -1.416 -0.702
43 C46 C C24 N N N 0 3.137 -2.1 0.396
44 O47 O O16 N N N 0 2.465 -3.028 0.794
45 C48 C C25 N N N 0 4.394 -1.71 1.131
46 H1 H H1 N N N 0 3.868 2.909 1.509
47 H4 H H4 N N N 0 -0.03 2.885 -0.92
48 H5 H H5 N N N 0 -2.698 1.117 1.374
49 H6 H H6 N N N 0 -5.043 1.391 1.673
50 H7 H H7 N N N 0 -6.677 1.766 -0.881
51 H8 H H8 N N N 0 -8.126 0.476 2.528
52 H9 H H9 N N N 0 -7.217 2.544 1.881
53 H10 H H10 N N N 0 -6.876 -3.665 3.295
54 H11 H H11 N N N 0 1.424 2.854 1.612
55 H12 H H12 N N N 0 -0.989 2.898 1.98
56 H13 H H13 N N N 0 -1.342 5.198 1.438
57 H14 H H14 N N N 0 -3.176 3.511 1.024
58 H15 H H15 N N N 0 -2.349 4.494 -0.993
59 H16 H H16 N N N 0 -4.161 1.764 -1.222
60 H17 H H17 N N N 0 -4.244 0.19 -0.396
61 H18 H H18 N N N 0 -5.196 3.669 -0.12
62 H19 H H19 N N N 0 -8.708 -0.171 -0.416
63 H20 H H20 N N N 0 -10.138 1.713 2.176
64 H21 H H21 N N N 0 -9.246 3.243 0.783
65 H22 H H22 N N N 0 -6.617 -1.42 2.376
66 H23 H H23 N N N 0 -10.105 -4.245 0.72
67 H24 H H24 N N N 0 -0.34 0.607 1.09
68 H25 H H25 N N N 0 0.23 -1.469 0.266
69 H26 H H26 N N N 0 -0.706 0.082 -2.883
70 H27 H H27 N N N 0 -2.106 -1.128 -4.588
71 H28 H H28 N N N 0 -2.332 -2.445 -3.412
72 H29 H H29 N N N 0 -4.102 -0.892 -3.245
73 H30 H H30 N N N 0 0.175 -2.752 -3.6
74 H31 H H31 N N N 0 -0.424 -1.36 -5.449
75 H32 H H32 N N N 0 1.812 -0.266 -2.915
76 H33 H H33 N N N 0 2.834 -1.791 -4.447
77 H34 H H34 N N N 0 1.413 -2.877 -1.379
78 H35 H H35 N N N 0 3.297 -0.674 -1.02
79 H36 H H36 N N N 0 4.307 -0.681 1.479
80 H37 H H37 N N N 0 4.534 -2.371 1.987
81 H38 H H38 N N N 0 5.248 -1.797 0.461
82 C1 C C26 N N N 0 4.827 2.553 -0.315
83 C2 C C27 N N N 0 6.204 2.718 0.274
84 C3 C C28 N N N 0 7.039 1.471 -0.023
85 C6 C C29 N N N 0 8.438 1.639 0.575
86 C7 C C30 N N N 0 9.272 0.391 0.278
87 C10 C C31 N N N 0 10.671 0.56 0.876
88 C12 C C32 N N N 0 11.505 -0.688 0.58
89 C16 C C33 N N N 0 12.904 -0.52 1.177
90 C18 C C34 N N N 0 13.738 -1.767 0.881
91 C21 C C35 N N N 0 15.137 -1.599 1.478
92 C23 C C36 N N N 0 15.035 -1.533 3.003
93 C24 C C37 N N N 0 16.01 -2.789 1.076
94 H2 H H2 N N N 0 4.712 2.326 -1.364
95 H3 H H3 N N N 0 6.686 3.591 -0.168
96 H39 H H39 N N N 0 6.125 2.854 1.353
97 H40 H H40 N N N 0 6.558 0.598 0.419
98 H41 H H41 N N N 0 7.119 1.335 -1.101
99 H42 H H42 N N N 0 8.919 2.512 0.133
100 H43 H H43 N N N 0 8.358 1.775 1.654
101 H44 H H44 N N N 0 8.791 -0.481 0.72
102 H45 H H45 N N N 0 9.352 0.255 -0.8
103 H46 H H46 N N N 0 11.152 1.432 0.434
104 H47 H H47 N N N 0 10.591 0.696 1.955
105 H48 H H48 N N N 0 11.024 -1.56 1.021
106 H49 H H49 N N N 0 11.585 -0.824 -0.499
107 H50 H H50 N N N 0 13.385 0.353 0.735
108 H51 H H51 N N N 0 12.824 -0.384 2.256
109 H52 H H52 N N N 0 13.257 -2.64 1.322
110 H53 H H53 N N N 0 13.818 -1.903 -0.198
111 H54 H H54 N N N 0 15.584 -0.678 1.104
112 H55 H H55 N N N 0 16.032 -1.413 3.429
113 H56 H H56 N N N 0 14.413 -0.685 3.29
114 H57 H H57 N N N 0 14.589 -2.454 3.378
115 H58 H H58 N N N 0 16.082 -2.836 -0.01
116 H59 H H59 N N N 0 17.006 -2.67 1.502
117 H60 H H60 N N N 0 15.563 -3.71 1.451