Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QEV

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 73


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C18 C C1 N N N 0 -3.96 -2.455 -0.415
2 C17 C C2 N Y N 0 -1.949 -1.222 0.335
3 C16 C C3 N Y N 0 -2.711 -0.389 1.156
4 C15 C C4 N Y N 0 -2.268 -0.178 2.472
5 C19 C C5 N N N 0 -7.371 3.715 -0.437
6 C22 C C6 N N N 0 -8.374 5.856 -0.759
7 C23 C C7 N N N 0 -0.354 -4.159 0.224
8 C24 C C8 N N N 0 -1.33 -4.637 -0.852
9 C11 C C9 S N N 0 0.024 -2.7 -0.041
10 C34 C C10 N Y N 0 6.773 1.592 0.064
11 C33 C C11 N Y N 0 7.902 2.348 -0.199
12 CL1 CL CL1 N N N 0 7.951 4.022 0.257
13 C2 C C12 N Y N 0 -4.69 -0.185 -0.406
14 C3 C C13 N Y N 0 -3.952 0.272 0.692
15 C4 C C14 N Y N 0 -4.409 1.383 1.413
16 C5 C C15 N Y N 0 -5.529 2.068 0.999
17 C6 C C16 N Y N 0 -6.219 1.656 -0.135
18 C7 C C17 N Y N 0 -5.8 0.534 -0.832
19 N8 N N1 N N N 0 -4.362 -1.359 -1.091
20 N9 N N2 N N N 0 -7.336 2.374 -0.573
21 C10 C C18 N Y N 0 -0.804 -1.8 0.839
22 N12 N N3 N N N 0 1.445 -2.502 0.256
23 N13 N N4 N Y N 0 -0.421 -1.575 2.082
24 C14 C C19 N Y N 0 -1.11 -0.795 2.893
25 O20 O O1 N N N 0 -6.47 4.29 0.142
26 O21 O O2 N N N 0 -8.403 4.416 -0.942
27 C25 C C20 N N N 0 -2.754 -4.618 -0.294
28 C26 C C21 R N N 0 -3.632 -3.72 -1.167
29 O27 O O3 N N N 0 -3.857 -2.421 0.793
30 C28 C C22 N N N 0 -4.928 -4.456 -1.515
31 C29 C C23 N N N 0 2.126 -1.506 -0.344
32 O30 O O4 N N N 0 1.561 -0.771 -1.132
33 C31 C C24 N Y N 0 8.956 0.437 -1.19
34 C32 C C25 N Y N 0 8.992 1.77 -0.826
35 C35 C C26 N Y N 0 6.739 0.25 -0.297
36 C36 C C27 N Y N 0 7.837 -0.326 -0.92
37 N37 N N5 N Y N 0 5.596 -0.521 -0.032
38 C38 C C28 N Y N 0 4.362 -0.343 -0.578
39 C39 C C29 N Y N 0 3.555 -1.306 -0.046
40 N40 N N6 N Y N 0 4.306 -2.047 0.808
41 C41 C C30 N Y N 0 5.523 -1.584 0.814
42 C42 C C31 N N N 0 3.964 0.712 -1.577
43 F43 F F1 N N N 0 5.708 2.155 0.675
44 H53 H H1 N N N 0 -2.254 -1.412 -0.683
45 H52 H H2 N N N 0 -2.826 0.458 3.144
46 H54 H H3 N N N 0 -8.357 6.087 0.306
47 H56 H H4 N N N 0 -7.482 6.265 -1.233
48 H55 H H5 N N N 0 -9.262 6.298 -1.212
49 H58 H H6 N N N 0 -0.825 -4.24 1.204
50 H57 H H7 N N N 0 0.544 -4.777 0.201
51 H60 H H8 N N N 0 -1.27 -3.975 -1.717
52 H59 H H9 N N N 0 -1.071 -5.652 -1.153
53 H49 H H10 N N N 0 -0.166 -2.46 -1.087
54 H44 H H11 N N N 0 -3.88 1.703 2.298
55 H45 H H12 N N N 0 -5.872 2.926 1.558
56 H46 H H13 N N N 0 -6.34 0.215 -1.711
57 H47 H H14 N N N 0 -4.424 -1.385 -2.059
58 H48 H H15 N N N 0 -8.086 1.908 -0.975
59 H50 H H16 N N N 0 1.895 -3.088 0.884
60 H51 H H17 N N N 0 -0.761 -0.638 3.903
61 H62 H H18 N N N 0 -3.158 -5.631 -0.293
62 H61 H H19 N N N 0 -2.74 -4.233 0.726
63 H63 H H20 N N N 0 -3.099 -3.47 -2.083
64 H66 H H21 N N N 0 -5.553 -3.816 -2.137
65 H64 H H22 N N N 0 -4.691 -5.371 -2.058
66 H65 H H23 N N N 0 -5.462 -4.706 -0.598
67 H67 H H24 N N N 0 9.809 -0.011 -1.679
68 H68 H H25 N N N 0 9.872 2.362 -1.031
69 H69 H H26 N N N 0 7.811 -1.368 -1.206
70 H70 H H27 N N N 0 6.34 -1.977 1.4
71 H71 H H28 N N N 0 4.118 0.333 -2.587
72 H73 H H29 N N N 0 2.913 0.965 -1.439
73 H72 H H30 N N N 0 4.575 1.603 -1.426