Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 316

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 87


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 -4.21 1.844 -1.312
2 C2 C C2 N Y N 0 -4.35 0.856 -0.335
3 C3 C C3 N Y N 0 -3.249 0.087 0.036
4 C4 C C4 N Y N 0 -2.015 0.31 -0.57
5 C5 C C5 N Y N 0 -1.889 1.301 -1.546
6 C6 C C6 N Y N 0 -2.984 2.06 -1.91
7 C7 C C7 N N N 0 -5.663 0.627 0.305
8 N1 N N1 N N N 0 -6.384 1.673 0.757
9 O1 O O1 N N N 0 -6.093 -0.504 0.423
10 C8 C C8 N N N 0 -7.628 1.44 1.495
11 C9 C C9 N N N 0 -5.923 3.041 0.511
12 C10 C C10 N N N 0 -6.679 3.626 -0.684
13 C11 C C11 N N N 0 -6.096 4.997 -1.035
14 C12 C C12 N N N 0 -7.307 1.193 2.97
15 C13 C C13 N N N 0 -8.606 0.951 3.741
16 C14 C C14 N N N 0 -2.84 3.128 -2.963
17 C15 C C15 N N N 0 -0.841 -0.502 -0.182
18 O2 O O2 N N N 0 -0.953 -1.364 0.667
19 N2 N N2 N N N 0 0.352 -0.285 -0.771
20 C16 C C16 S N N 0 1.515 -1.089 -0.386
21 C17 C C17 S N N 0 2.796 -0.305 -0.678
22 O3 O O3 N N N 0 2.922 -0.106 -2.087
23 C18 C C18 N N N 0 1.521 -2.392 -1.187
24 C19 C C19 N Y N 0 0.321 -3.221 -0.808
25 C20 C C20 N Y N 0 -0.867 -3.072 -1.499
26 C21 C C21 N Y N 0 -1.97 -3.833 -1.152
27 C22 C C22 N Y N 0 -1.884 -4.743 -0.112
28 C23 C C23 N Y N 0 -0.694 -4.891 0.579
29 C24 C C24 N Y N 0 0.41 -4.133 0.226
30 F1 F F1 N N N 0 -3.132 -3.687 -1.827
31 F2 F F2 N N N 0 -0.608 -5.778 1.594
32 C25 C C25 S N N 0 4.003 -1.09 -0.162
33 C26 C C26 N N N 0 5.26 -0.319 -0.449
34 N4 N N4 N N N 0 6.253 -0.198 0.438
35 C28 C C28 N N N 0 6.194 -0.773 1.778
36 C29 C C29 N N N 0 5.113 -1.853 1.838
37 N3 N N3 N N N 0 3.865 -1.304 1.285
38 O4 O O4 N N N 0 5.378 0.217 -1.531
39 C27 C C27 N N N 0 7.454 0.545 0.047
40 C31 C C31 N Y N 0 7.283 2.0 0.401
41 C32 C C32 N Y N 0 7.683 2.46 1.642
42 C33 C C33 N Y N 0 7.526 3.794 1.967
43 C34 C C34 N Y N 0 6.97 4.668 1.052
44 C35 C C35 N Y N 0 6.57 4.208 -0.189
45 C36 C C36 N Y N 0 6.731 2.874 -0.516
46 H1 H H1 N N N 0 -5.063 2.438 -1.604
47 H3 H H3 N N N 0 -3.352 -0.678 0.792
48 H5 H H5 N N N 0 -0.933 1.475 -2.018
49 H8 H H8 N N N 0 -8.273 2.314 1.405
50 H8A H H8A N N N 0 -8.137 0.569 1.083
51 H9 H H9 N N N 0 -6.111 3.652 1.393
52 H9A H H9A N N N 0 -4.855 3.032 0.296
53 H10 H H10 N N N 0 -6.577 2.959 -1.54
54 H10A H H10A N N N 0 -7.733 3.734 -0.43
55 H11 H H11 N N N 0 -6.635 5.414 -1.886
56 H11A H H11A N N N 0 -6.198 5.664 -0.179
57 H11B H H11B N N N 0 -5.042 4.89 -1.288
58 H12 H H12 N N N 0 -6.662 0.319 3.061
59 H12A H H12A N N N 0 -6.798 2.065 3.382
60 H13 H H13 N N N 0 -8.378 0.775 4.792
61 H13A H H13A N N N 0 -9.251 1.825 3.651
62 H13B H H13B N N N 0 -9.116 0.079 3.33
63 H14 H H14 N N N 0 -2.572 4.072 -2.49
64 H14A H H14A N N N 0 -2.06 2.84 -3.668
65 H14B H H14B N N N 0 -3.785 3.243 -3.494
66 HN2 H HN2 N N N 0 0.44 0.403 -1.449
67 H16 H H16 N N N 0 1.462 -1.317 0.678
68 H17 H H17 N N N 0 2.751 0.663 -0.177
69 HO3 H HO3 N N N 0 2.968 -0.927 -2.597
70 H18 H H18 N N N 0 1.483 -2.164 -2.253
71 H18A H H18A N N N 0 2.431 -2.95 -0.967
72 H20 H H20 N N N 0 -0.934 -2.362 -2.31
73 H22 H H22 N N N 0 -2.744 -5.337 0.159
74 H24 H H24 N N N 0 1.34 -4.251 0.762
75 H25 H H25 N N N 0 4.048 -2.056 -0.666
76 H28 H H28 N N N 0 7.16 -1.214 2.025
77 H28A H H28A N N N 0 5.962 0.012 2.498
78 H29 H H29 N N N 0 5.425 -2.716 1.25
79 H29A H H29A N N N 0 4.952 -2.153 2.874
80 HN3 H HN3 N N N 0 3.607 -0.448 1.753
81 H27 H H27 N N N 0 8.318 0.141 0.574
82 H27A H H27A N N N 0 7.607 0.449 -1.028
83 H32 H H32 N N N 0 8.118 1.777 2.357
84 H33 H H33 N N N 0 7.838 4.154 2.937
85 H34 H H34 N N N 0 6.847 5.71 1.307
86 H35 H H35 N N N 0 6.135 4.891 -0.904
87 H36 H H36 N N N 0 6.423 2.516 -1.487