Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 44Z

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 74


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N N N N 0 0.716 -1.786 -1.655
2 C1 C C1 N N N 0 -1.176 3.966 -1.569
3 O1 O O1 N N N 0 -2.165 4.102 -2.257
4 N1 N N1 N N N 0 -0.375 5.017 -1.39
5 C2 C C2 N N N 0 0.886 4.982 -0.663
6 C3 C C3 N N N 0 0.922 3.796 0.303
7 N2 N N2 N N N 0 0.46 2.6 -0.422
8 C4 C C4 N N N 0 -0.912 2.62 -0.95
9 C5 C C5 N N N 0 1.262 1.53 -0.593
10 O5 O O5 N N N 0 2.444 1.607 -0.323
11 N3 N N3 N N N 0 0.752 0.375 -1.065
12 C6 C C6 N N N 0 1.427 -0.821 -1.171
13 C7 C C7 S N N 0 -0.641 -1.314 -1.958
14 C8 C C8 R N N 0 -0.622 0.174 -1.554
15 CG1 C CG1 N Y N 0 -1.621 0.439 -0.457
16 CD1 C CD1 N Y N 0 -1.343 0.047 0.84
17 CE1 C CE1 N Y N 0 -2.259 0.29 1.846
18 CZ1 C CZ1 N Y N 0 -3.453 0.925 1.556
19 CL CL CL N N N 0 -4.603 1.231 2.82
20 CE2 C CE2 N Y N 0 -3.73 1.318 0.259
21 CD2 C CD2 N Y N 0 -2.811 1.079 -0.746
22 CG2 C CG2 N Y N 0 -1.658 -2.069 -1.142
23 CD3 C CD3 N Y N 0 -1.382 -2.398 0.173
24 CE3 C CE3 N Y N 0 -2.312 -3.091 0.925
25 CZ2 C CZ2 N Y N 0 -3.521 -3.456 0.364
26 CE4 C CE4 N Y N 0 -3.801 -3.127 -0.954
27 O4 O O4 N N N 0 -4.989 -3.486 -1.508
28 CD4 C CD4 N Y N 0 -2.867 -2.428 -1.705
29 CG3 C CG3 N Y N 0 2.838 -0.986 -0.768
30 CD5 C CD5 N Y N 0 3.784 -1.431 -1.694
31 CE5 C CE5 N Y N 0 5.099 -1.584 -1.315
32 CZ3 C CZ3 N Y N 0 5.489 -1.297 -0.012
33 CE6 C CE6 N Y N 0 4.557 -0.854 0.915
34 CD6 C CD6 N Y N 0 3.234 -0.692 0.543
35 O6 O O6 N N N 0 2.321 -0.259 1.449
36 C9 C C9 N N N 0 2.773 -0.083 2.793
37 CM2 C CM2 N N N 0 1.872 0.927 3.507
38 CM3 C CM3 N N N 0 2.719 -1.424 3.529
39 O3 O O3 N N N 0 6.788 -1.451 0.354
40 CM1 C CM1 N N N 0 7.695 -1.911 -0.65
41 CM4 C CM4 N N N 0 -5.904 -4.2 -0.674
42 H1 H H1 N N N 0 -0.652 5.865 -1.772
43 H21 H H21 N N N 0 1.707 4.893 -1.373
44 H22 H H22 N N N 0 1.0 5.907 -0.098
45 H32 H H32 N N N 0 1.942 3.641 0.656
46 H31 H H31 N N N 0 0.264 3.99 1.15
47 H42 H H42 N N N 0 -1.619 2.447 -0.138
48 H41 H H41 N N N 0 -1.024 1.843 -1.706
49 H7 H H7 N N N 0 -0.854 -1.419 -3.022
50 H8 H H8 N N N 0 -0.82 0.809 -2.417
51 HD1 H HD1 N N N 0 -0.411 -0.449 1.066
52 HE1 H HE1 N N N 0 -2.042 -0.017 2.859
53 HE2 H HE2 N N N 0 -4.662 1.813 0.032
54 HD2 H HD2 N N N 0 -3.026 1.389 -1.758
55 HD3 H HD3 N N N 0 -0.437 -2.114 0.613
56 HE3 H HE3 N N N 0 -2.094 -3.347 1.951
57 HZ2 H HZ2 N N N 0 -4.247 -3.998 0.952
58 HD4 H HD4 N N N 0 -3.084 -2.166 -2.73
59 HD5 H HD5 N N N 0 3.484 -1.656 -2.707
60 HE5 H HE5 N N N 0 5.829 -1.929 -2.033
61 HE6 H HE6 N N N 0 4.865 -0.633 1.926
62 H9 H H9 N N N 0 3.798 0.286 2.786
63 HM23 H HM23 N N N 0 2.217 1.06 4.532
64 HM21 H HM21 N N N 0 1.91 1.882 2.983
65 HM22 H HM22 N N N 0 0.846 0.557 3.514
66 HM33 H HM33 N N N 0 1.694 -1.793 3.535
67 HM32 H HM32 N N N 0 3.361 -2.143 3.02
68 HM31 H HM31 N N N 0 3.064 -1.29 4.554
69 HM12 H HM12 N N N 0 7.374 -2.888 -1.009
70 HM13 H HM13 N N N 0 7.707 -1.204 -1.48
71 HM11 H HM11 N N N 0 8.696 -1.99 -0.226
72 HM43 H HM43 N N N 0 -6.81 -4.424 -1.237
73 HM42 H HM42 N N N 0 -5.443 -5.13 -0.342
74 HM41 H HM41 N N N 0 -6.157 -3.59 0.193