Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : YIS

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 82


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 -6.668 4.545 -2.152
2 C2 C C2 N N N 0 -7.444 3.878 -1.014
3 C3 C C3 N N N 0 -7.427 4.788 0.216
4 C4 C C4 N N N 0 -8.891 3.642 -1.453
5 C5 C C5 N Y N 0 -6.801 2.559 -0.672
6 C6 C C6 N Y N 0 -5.608 2.392 0.037
7 C7 C C7 N Y N 0 -5.367 1.056 0.139
8 N8 N N8 N N N 0 -4.276 0.46 0.773
9 C9 C C9 N N N 0 -3.337 1.227 1.361
10 O10 O O10 N N N 0 -3.44 2.438 1.338
11 N11 N N11 N N N 0 -2.283 0.652 1.973
12 C12 C C12 N N N 0 -1.262 1.485 2.612
13 C13 C C13 N Y N 0 -0.202 0.604 3.22
14 C14 C C14 N Y N 0 -0.218 0.335 4.574
15 C15 C C15 N Y N 0 0.755 -0.473 5.132
16 C16 C C16 N Y N 0 1.748 -1.016 4.337
17 C17 C C17 N Y N 0 1.771 -0.752 2.982
18 C18 C C18 N Y N 0 0.791 0.056 2.416
19 S19 S S19 N N N 0 0.812 0.389 0.686
20 C20 C C20 N Y N 0 2.119 -0.636 0.101
21 C21 C C21 N Y N 0 1.989 -2.04 0.151
22 C22 C C22 N Y N 0 3.001 -2.827 -0.302
23 C23 C C23 N Y N 0 4.166 -2.228 -0.816
24 N24 N N24 N Y N 0 5.292 -2.715 -1.318
25 N25 N N25 N Y N 0 6.069 -1.748 -1.658
26 C26 C C26 N Y N 0 5.495 -0.59 -1.397
27 C27 C C27 N Y N 0 6.069 0.748 -1.645
28 C28 C C28 N Y N 0 5.305 1.734 -2.27
29 C29 C C29 N Y N 0 5.847 2.982 -2.5
30 C30 C C30 N Y N 0 7.147 3.262 -2.113
31 C31 C C31 N Y N 0 7.915 2.294 -1.494
32 C32 C C32 N Y N 0 7.384 1.036 -1.249
33 S33 S S33 N N N 0 8.359 -0.197 -0.452
34 C34 C C34 N N N 0 9.932 0.656 -0.155
35 C35 C C35 N N N 0 10.904 -0.296 0.543
36 O36 O O36 N N N 0 12.143 0.375 0.778
37 N40 N N40 N Y N 0 -7.268 1.377 -0.984
38 N37 N N37 N Y N 0 4.268 -0.859 -0.854
39 C38 C C38 N Y N 0 3.247 -0.074 -0.403
40 N39 N N39 N Y N 0 -6.384 0.408 -0.492
41 C41 C C41 N Y N 0 -6.524 -0.982 -0.621
42 C42 C C42 N Y N 0 -7.787 -1.557 -0.592
43 C43 C C43 N Y N 0 -7.926 -2.925 -0.721
44 C44 C C44 N Y N 0 -6.803 -3.725 -0.878
45 O45 O O45 N N N 0 -6.941 -5.072 -1.005
46 C46 C C46 N Y N 0 -5.54 -3.15 -0.907
47 CL CL CL N N N 0 -4.135 -4.151 -1.105
48 C48 C C48 N Y N 0 -5.401 -1.781 -0.784
49 H11C H H11C N N N 0 -5.638 4.713 -1.839
50 H12C H H12C N N N 0 -6.681 3.897 -3.028
51 H13C H H13C N N N 0 -7.134 5.499 -2.399
52 H31C H H31C N N N 0 -7.892 5.742 -0.031
53 H32C H H32C N N N 0 -7.98 4.313 1.027
54 H33C H H33C N N N 0 -6.397 4.957 0.529
55 H41C H H41C N N N 0 -8.903 2.994 -2.329
56 H42C H H42C N N N 0 -9.443 3.167 -0.642
57 H11 H H11 N N N 0 -2.201 -0.315 1.992
58 H43C H H43C N N N 0 -9.356 4.596 -1.7
59 H6 H H6 N N N 0 -4.988 3.182 0.434
60 H8 H H8 N N N 0 -4.194 -0.506 0.791
61 H121 H H121 N N N 0 -0.809 2.139 1.867
62 H122 H H122 N N N 0 -1.723 2.09 3.393
63 H14 H H14 N N N 0 -0.992 0.758 5.198
64 H15 H H15 N N N 0 0.74 -0.681 6.192
65 H16 H H16 N N N 0 2.507 -1.646 4.777
66 H22 H H22 N N N 0 2.911 -3.903 -0.267
67 H17 H H17 N N N 0 2.547 -1.176 2.362
68 H21 H H21 N N N 0 1.09 -2.487 0.548
69 H38 H H38 N N N 0 3.338 1.002 -0.443
70 H28 H H28 N N N 0 4.291 1.521 -2.574
71 H29 H H29 N N N 0 5.254 3.745 -2.983
72 H30 H H30 N N N 0 7.563 4.241 -2.297
73 H351 H H351 N N N 0 10.479 -0.617 1.495
74 H31 H H31 N N N 0 8.928 2.52 -1.195
75 H341 H H341 N N N 0 10.357 0.976 -1.106
76 H342 H H342 N N N 0 9.759 1.527 0.477
77 H352 H H352 N N N 0 11.077 -1.167 -0.089
78 H36 H H36 N N N 0 12.809 -0.17 1.219
79 H48 H H48 N N N 0 -4.419 -1.333 -0.811
80 H42 H H42 N N N 0 -8.662 -0.935 -0.469
81 H43 H H43 N N N 0 -8.909 -3.373 -0.698
82 H45 H H45 N N N 0 -7.04 -5.373 -1.918