Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : VS1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 77


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 0.804 0.512 -2.392
2 C3 C C3 S N N 0 0.502 -0.35 -1.247
3 C12 C C12 N N N 0 1.769 -0.554 -0.414
4 C14 C C14 N Y N 0 2.831 -1.202 -1.266
5 C15 C C15 N Y N 0 3.71 -0.418 -1.989
6 C16 C C16 N Y N 0 4.684 -1.012 -2.77
7 C17 C C17 N Y N 0 4.778 -2.39 -2.827
8 C18 C C18 N Y N 0 3.899 -3.174 -2.103
9 C19 C C19 N Y N 0 2.928 -2.58 -1.319
10 C11 C C11 N N N 0 -0.559 0.297 -0.395
11 N20 N N20 N N N 0 -1.001 -0.322 0.716
12 C21 C C21 S N N 0 -2.038 0.304 1.54
13 C23 C C23 N N N 0 -3.417 -0.141 1.051
14 C24 C C24 N N N 0 -3.602 0.28 -0.407
15 C29 C C29 N Y N 0 -4.961 -0.159 -0.888
16 C30 C C30 N Y N 0 -6.049 0.682 -0.749
17 C31 C C31 N Y N 0 -7.295 0.279 -1.191
18 C32 C C32 N Y N 0 -7.454 -0.964 -1.772
19 C33 C C33 N Y N 0 -6.366 -1.805 -1.912
20 C34 C C34 N Y N 0 -5.118 -1.401 -1.474
21 C25 C C25 N N N 0 -0.473 0.329 3.488
22 S26 S S26 N N N 0 -0.254 -0.169 5.218
23 C35 C C35 N Y N 0 1.361 0.417 5.603
24 C36 C C36 N Y N 0 1.53 1.69 6.115
25 C37 C C37 N Y N 0 2.798 2.15 6.417
26 C38 C C38 N Y N 0 3.897 1.337 6.209
27 C39 C C39 N Y N 0 3.727 0.064 5.698
28 C40 C C40 N Y N 0 2.459 -0.397 5.4
29 O36 O O36 N N N 0 -1.081 0.587 6.09
30 O35 O O35 N N N 0 -0.116 -1.578 5.343
31 O13 O O13 N N N 0 -1.018 1.373 -0.714
32 C2 C C2 N N N 0 1.21 -0.03 -3.556
33 O10 O O10 N N N 0 1.256 -1.239 -3.68
34 N4 N N4 N N N 0 1.566 0.766 -4.584
35 C5 C C5 N N N 0 2.129 0.207 -5.825
36 C6 C C6 N N N 0 1.405 0.854 -7.011
37 O7 O O7 N N N 0 1.518 2.273 -6.924
38 C8 C C8 N N N 0 0.743 2.703 -5.806
39 C9 C C9 N N N 0 1.4 2.227 -4.511
40 C22 C C22 N N N 0 -1.853 -0.116 2.999
41 H1 H H1 N N N 0 0.711 1.474 -2.312
42 H31 H 1H3 N N N 0 0.142 -1.315 -1.604
43 H121 H 1H12 N N N 0 2.129 0.41 -0.057
44 H122 H 2H12 N N N 0 1.545 -1.196 0.437
45 H151 H 1H15 N N N 0 3.636 0.658 -1.944
46 H161 H 1H16 N N N 0 5.371 -0.4 -3.335
47 H171 H 1H17 N N N 0 5.539 -2.854 -3.438
48 H181 H 1H18 N N N 0 3.973 -4.25 -2.148
49 H191 H 1H19 N N N 0 2.242 -3.192 -0.753
50 H2 H H2 N N N 0 -0.634 -1.182 0.97
51 H211 H 1H21 N N N 0 -1.958 1.389 1.462
52 H231 H 1H23 N N N 0 -3.497 -1.225 1.129
53 H232 H 2H23 N N N 0 -4.188 0.325 1.665
54 H241 H 1H24 N N N 0 -3.522 1.364 -0.485
55 H242 H 2H24 N N N 0 -2.831 -0.186 -1.02
56 H301 H 1H30 N N N 0 -5.925 1.654 -0.295
57 H311 H 1H31 N N N 0 -8.145 0.936 -1.081
58 H321 H 1H32 N N N 0 -8.428 -1.279 -2.116
59 H331 H 1H33 N N N 0 -6.49 -2.778 -2.365
60 H341 H 1H34 N N N 0 -4.268 -2.058 -1.584
61 H251 H 1H25 N N N 0 0.297 -0.136 2.875
62 H252 H 2H25 N N N 0 -0.393 1.413 3.41
63 H361 H 1H36 N N N 0 0.672 2.325 6.277
64 H372 H 2H37 N N N 0 2.931 3.145 6.816
65 H381 H 1H38 N N N 0 4.887 1.697 6.444
66 H391 H 1H39 N N N 0 4.586 -0.57 5.535
67 H401 H 1H40 N N N 0 2.327 -1.392 5.001
68 H51 H 1H5 N N N 0 3.195 0.43 -5.878
69 H52 H 2H5 N N N 0 1.977 -0.871 -5.845
70 H61 H 1H6 N N N 0 1.855 0.51 -7.942
71 H62 H 2H6 N N N 0 0.352 0.571 -6.991
72 H81 H 1H8 N N N 0 0.681 3.792 -5.804
73 H82 H 2H8 N N N 0 -0.259 2.283 -5.876
74 H91 H 1H9 N N N 0 0.768 2.486 -3.661
75 H92 H 2H9 N N N 0 2.377 2.697 -4.4
76 H221 H 1H22 N N N 0 -2.624 0.35 3.613
77 H222 H 2H22 N N N 0 -1.933 -1.2 3.077