Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : STI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 68


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 2.74 -0.022 8.889
2 C6 C C6 N Y N 0 1.914 0.207 7.802
3 C5 C C5 N Y N 0 2.435 0.009 6.52
4 C4 C C4 N Y N 0 3.755 -0.413 6.387
5 N3 N N3 N Y N 0 4.505 -0.614 7.452
6 C2 C C2 N Y N 0 4.042 -0.436 8.674
7 C7 C C7 N Y N 0 1.593 0.241 5.321
8 C12 C C12 N Y N 0 2.131 0.848 4.183
9 C11 C C11 N Y N 0 1.308 1.042 3.088
10 N10 N N10 N Y N 0 0.045 0.651 3.15
11 C9 C C9 N Y N 0 -0.438 0.077 4.242
12 N8 N N8 N Y N 0 0.313 -0.122 5.314
13 N13 N N13 N N N 0 -1.765 -0.317 4.266
14 C14 C C14 N Y N 0 -2.541 -0.23 3.106
15 C19 C C19 N Y N 0 -3.901 0.04 3.198
16 C18 C C18 N Y N 0 -4.669 0.126 2.052
17 C17 C C17 N Y N 0 -4.087 -0.056 0.812
18 C16 C C16 N Y N 0 -2.728 -0.327 0.714
19 C15 C C15 N Y N 0 -1.955 -0.419 1.862
20 N21 N N21 N N N 0 -2.14 -0.512 -0.541
21 C22 C C22 N N N 0 -2.547 0.228 -1.591
22 C23 C C23 N Y N 0 -1.994 -0.031 -2.937
23 C25 C C25 N Y N 0 -2.413 0.734 -4.027
24 C26 C C26 N Y N 0 -1.892 0.486 -5.28
25 C27 C C27 N Y N 0 -0.957 -0.517 -5.458
26 C28 C C28 N Y N 0 -0.542 -1.283 -4.384
27 C29 C C29 N Y N 0 -1.05 -1.042 -3.124
28 C46 C C46 N N N 0 -0.393 -0.781 -6.83
29 N48 N N48 N N N 0 0.809 0.038 -7.032
30 C53 C C53 N N N 0 1.306 -0.264 -8.379
31 C52 C C52 N N N 0 2.629 0.463 -8.615
32 N51 N N51 N N N 0 3.638 -0.027 -7.668
33 C54 C C54 N N N 0 4.84 0.792 -7.87
34 C50 C C50 N N N 0 3.141 0.276 -6.321
35 C49 C C49 N N N 0 1.817 -0.452 -6.085
36 O29 O O29 N N N 0 -3.368 1.11 -1.431
37 C20 C C20 N N N 0 -4.539 0.24 4.548
38 H11 H 1H1 N N N 0 2.371 0.12 9.894
39 H61 H 1H6 N N N 0 0.893 0.532 7.941
40 H41 H 1H4 N N N 0 4.171 -0.57 5.403
41 H21 H 1H2 N N N 0 4.689 -0.616 9.519
42 H121 H 1H12 N N N 0 3.166 1.157 4.159
43 H171 H 1H17 N N N 0 -4.69 0.011 -0.08
44 H111 H 1H11 N N N 0 1.692 1.508 2.193
45 H131 H 1H13 N N N 0 -2.157 -0.654 5.087
46 H181 H 1H18 N N N 0 -5.725 0.336 2.126
47 H151 H 1H15 N N N 0 -0.899 -0.63 1.788
48 H211 H 1H21 N N N 0 -1.44 -1.173 -0.656
49 H251 H 1H25 N N N 0 -3.142 1.518 -3.889
50 H261 H 1H26 N N N 0 -2.216 1.077 -6.124
51 H281 H 1H28 N N N 0 0.187 -2.065 -4.53
52 H291 H 1H29 N N N 0 -0.722 -1.638 -2.285
53 H461 H 1H46 N N N 0 -1.137 -0.526 -7.585
54 H462 H 2H46 N N N 0 -0.132 -1.836 -6.919
55 H531 H 1H53 N N N 0 0.574 0.063 -9.118
56 H532 H 2H53 N N N 0 1.46 -1.339 -8.475
57 H521 H 1H52 N N N 0 2.486 1.533 -8.47
58 H522 H 2H52 N N N 0 2.968 0.278 -9.635
59 H541 H 1H54 N N N 0 5.623 0.464 -7.185
60 H542 H 2H54 N N N 0 5.187 0.682 -8.897
61 H543 H 3H54 N N N 0 4.603 1.838 -7.676
62 H501 H 1H50 N N N 0 3.872 -0.052 -5.582
63 H502 H 2H50 N N N 0 2.986 1.35 -6.225
64 H491 H 1H49 N N N 0 1.478 -0.267 -5.065
65 H492 H 2H49 N N N 0 1.961 -1.522 -6.23
66 H203 H 3H20 N N N 0 -5.383 0.924 4.453
67 H201 H 1H20 N N N 0 -4.89 -0.718 4.93
68 H202 H 2H20 N N N 0 -3.807 0.661 5.237