Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : RIT

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 98


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 8.214 3.157 1.608
2 C2 C C2 N Y N 0 7.655 2.966 0.409
3 S3 S S3 N Y N 0 7.345 4.548 -0.303
4 O7 O O7 N N N 0 6.003 1.222 0.152
5 C4 C C4 N Y N 0 7.998 5.308 1.082
6 N5 N N5 N Y N 0 8.383 4.422 1.936
7 C6 C C6 N N N 0 7.344 1.633 -0.222
8 C10 C C10 N N N 0 5.567 0.043 -0.333
9 O24 O O24 N N N 0 6.289 -0.623 -1.049
10 N11 N N11 N N N 0 4.332 -0.397 -0.024
11 C12 C C12 S N N 0 3.858 -1.679 -0.552
12 C13 C C13 S N N 0 2.329 -1.674 -0.608
13 C14 C C14 N N N 0 1.857 -0.541 -1.521
14 C15 C C15 S N N 0 0.347 -0.658 -1.74
15 C26 C C26 N N N 0 4.331 -2.812 0.362
16 C28 C C28 N Y N 0 5.835 -2.896 0.321
17 C31 C C31 N Y N 0 6.592 -2.167 1.22
18 C32 C C32 N Y N 0 7.971 -2.243 1.183
19 C33 C C33 N Y N 0 8.594 -3.049 0.248
20 C34 C C34 N Y N 0 7.837 -3.778 -0.65
21 C35 C C35 N Y N 0 6.457 -3.705 -0.61
22 O41 O O41 N N N 0 1.804 -1.477 0.706
23 C44 C C44 N N N 0 -0.095 0.353 -2.799
24 C45 C C45 N Y N 0 -1.558 0.156 -3.103
25 C48 C C48 N Y N 0 -2.514 0.845 -2.379
26 C49 C C49 N Y N 0 -3.855 0.663 -2.658
27 C50 C C50 N Y N 0 -4.242 -0.207 -3.661
28 C51 C C51 N Y N 0 -3.286 -0.895 -4.385
29 C52 C C52 N Y N 0 -1.944 -0.711 -4.109
30 N58 N N58 N N N 0 -0.351 -0.383 -0.481
31 N20 N N20 N N N 0 -3.501 -1.468 1.075
32 C19 C C19 S N N 0 -2.222 -0.754 1.094
33 C18 C C18 N N N 0 -1.423 -1.12 -0.13
34 O61 O O61 N N N 0 -1.746 -2.079 -0.8
35 C62 C C62 N N N 0 -1.439 -1.143 2.349
36 C64 C C64 N N N 0 -1.02 -2.611 2.254
37 C68 C C68 N N N 0 -0.192 -0.263 2.466
38 C21 C C21 N N N 0 -4.563 -0.967 1.737
39 N74 N N74 N N N 0 -5.739 -1.624 1.719
40 C75 C C75 N N N 0 -6.893 -1.079 2.438
41 O76 O O76 N N N 0 -4.459 0.078 2.349
42 C77 C C77 N Y N 0 -7.674 -0.173 1.521
43 C80 C C80 N Y N 0 -8.732 -0.592 0.82
44 S81 S S81 N Y N 0 -9.34 0.775 -0.111
45 C82 C C82 N Y N 0 -8.112 1.773 0.535
46 N83 N N83 N Y N 0 -7.373 1.098 1.35
47 C85 C C85 N N N 0 -7.923 3.231 0.206
48 C86 C C86 N N N 0 -7.677 3.387 -1.296
49 C90 C C90 N N N 0 -9.179 4.01 0.6
50 C95 C C95 N N N 0 -5.864 -2.884 0.982
51 H1 H H1 N N N 0 8.499 2.342 2.256
52 H4 H H4 N N N 0 8.077 6.377 1.221
53 H61 H H61 N N N 0 7.408 1.721 -1.307
54 H62A H H62A N N N 0 8.062 0.89 0.126
55 H11 H H11 N N N 0 3.756 0.135 0.547
56 H12 H H12 N N N 0 4.258 -1.83 -1.554
57 H13 H H13 N N N 0 1.977 -2.628 -1.0
58 H141 H H141 N N N 0 2.083 0.419 -1.057
59 H142 H H142 N N N 0 2.369 -0.61 -2.481
60 H15 H H15 N N N 0 0.105 -1.666 -2.076
61 H261 H H261 N N N 0 4.005 -2.615 1.383
62 H262 H H262 N N N 0 3.905 -3.756 0.02
63 H31 H H31 N N N 0 6.105 -1.538 1.95
64 H32 H H32 N N N 0 8.563 -1.673 1.884
65 H33 H H33 N N N 0 9.672 -3.108 0.218
66 H34 H H34 N N N 0 8.324 -4.407 -1.381
67 H35 H H35 N N N 0 5.866 -4.278 -1.309
68 HO4 H HO4 N N N 0 2.046 -0.628 1.103
69 H441 H H441 N N N 0 0.064 1.365 -2.425
70 H442 H H442 N N N 0 0.488 0.206 -3.708
71 H48 H H48 N N N 0 -2.212 1.524 -1.596
72 H49 H H49 N N N 0 -4.602 1.201 -2.092
73 H58 H H58 N N N 0 -0.041 0.329 0.1
74 H50 H H50 N N N 0 -5.29 -0.349 -3.878
75 H51 H H51 N N N 0 -3.588 -1.575 -5.167
76 H52 H H52 N N N 0 -1.198 -1.245 -4.677
77 H20 H H20 N N N 0 -3.583 -2.302 0.587
78 H19 H H19 N N N 0 -2.406 0.321 1.1
79 H62 H H62 N N N 0 -2.067 -1.001 3.229
80 H641 H H641 N N N 0 -0.391 -2.753 1.375
81 H642 H H642 N N N 0 -0.461 -2.889 3.148
82 H643 H H643 N N N 0 -1.907 -3.238 2.171
83 H681 H H681 N N N 0 0.392 -0.574 3.333
84 H682 H H682 N N N 0 0.412 -0.368 1.565
85 H683 H H683 N N N 0 -0.492 0.778 2.584
86 H751 H H751 N N N 0 -7.533 -1.897 2.772
87 H752 H H752 N N N 0 -6.549 -0.512 3.303
88 H80 H H80 N N N 0 -9.142 -1.591 0.824
89 H85 H H85 N N N 0 -7.066 3.62 0.756
90 H861 H H861 N N N 0 -8.533 2.998 -1.847
91 H862 H H862 N N N 0 -7.54 4.442 -1.535
92 H863 H H863 N N N 0 -6.782 2.832 -1.578
93 H901 H H901 N N N 0 -9.354 3.899 1.67
94 H902 H H902 N N N 0 -9.043 5.065 0.362
95 H903 H H903 N N N 0 -10.036 3.621 0.049
96 H951 H H951 N N N 0 -5.616 -3.717 1.64
97 H952 H H952 N N N 0 -6.887 -2.996 0.623
98 H953 H H953 N N N 0 -5.18 -2.877 0.132