Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : CS5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 83


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 -4.32 1.854 -1.285
2 C2 C C2 N Y N 0 -3.09 2.1 -1.861
3 C3 C C3 N Y N 0 -1.98 1.381 -1.466
4 C4 C C4 N Y N 0 -2.095 0.398 -0.48
5 C5 C C5 N Y N 0 -3.333 0.144 0.105
6 C6 C C6 N Y N 0 -4.45 0.874 -0.298
7 C7 C C7 N N N 0 -5.768 0.613 0.318
8 N1 N N1 N N N 0 -6.542 1.641 0.717
9 O1 O O1 N N N 0 -6.154 -0.531 0.465
10 C8 C C8 N N N 0 -7.788 1.383 1.443
11 C9 C C9 N N N 0 -7.504 1.347 2.946
12 C10 C C10 N N N 0 -8.806 1.077 3.704
13 C11 C C11 N N N 0 -6.137 3.019 0.424
14 C12 C C12 N N N 0 -6.873 3.513 -0.823
15 C13 C C13 N N N 0 -6.352 4.899 -1.207
16 C14 C C14 N N N 0 -0.905 -0.373 -0.06
17 N2 N N2 N N N 0 0.292 -0.127 -0.627
18 O2 O O2 N N N 0 -1.007 -1.228 0.798
19 C15 C C15 S N N 0 1.471 -0.89 -0.21
20 C16 C C16 R N N 0 2.733 -0.071 -0.486
21 C17 C C17 N N N 0 1.533 -2.202 -0.995
22 O3 O O3 N N N 0 2.882 0.115 -1.895
23 C18 C C18 N N N 0 3.954 -0.813 0.062
24 N3 N N3 N N N 0 5.149 0.026 -0.095
25 C19 C C19 N N N 0 6.343 -0.656 0.421
26 C20 C C20 N Y N 0 7.546 0.233 0.243
27 C21 C C21 N Y N 0 0.351 -3.063 -0.629
28 C22 C C22 N Y N 0 0.444 -3.951 0.425
29 C23 C C23 N Y N 0 -0.642 -4.742 0.762
30 C24 C C24 N Y N 0 -1.82 -4.643 0.042
31 C25 C C25 N Y N 0 -1.912 -3.752 -1.013
32 C26 C C26 N Y N 0 -0.827 -2.958 -1.345
33 C27 C C27 N Y N 0 8.289 0.166 -0.922
34 C28 C C28 N Y N 0 9.393 0.98 -1.088
35 C29 C C29 N Y N 0 9.758 1.864 -0.09
36 C30 C C30 N Y N 0 9.015 1.933 1.079
37 C31 C C31 N Y N 0 7.904 1.119 1.241
38 O4 O O4 N N N 0 9.372 2.801 2.062
39 C32 C C32 N N N 0 10.524 3.613 1.823
40 C33 C C33 N N N 0 -2.958 3.159 -2.925
41 F2 F F2 N N N 0 -0.55 -5.612 1.792
42 F1 F F1 N N N 0 -3.061 -3.654 -1.717
43 H1 H H1 N N N 0 -5.184 2.424 -1.595
44 H3 H H3 N N N 0 -1.02 1.578 -1.921
45 H5 H H5 N N N 0 -3.428 -0.615 0.867
46 H81 H 1H8 N N N 0 -8.505 2.174 1.227
47 H82 H 2H8 N N N 0 -8.199 0.424 1.128
48 H91 H 1H9 N N N 0 -6.787 0.556 3.162
49 H92 H 2H9 N N N 0 -7.093 2.306 3.261
50 H101 H 1H10 N N N 0 -9.523 1.869 3.488
51 H102 H 2H10 N N N 0 -9.217 0.118 3.389
52 H103 H 3H10 N N N 0 -8.604 1.052 4.775
53 H111 H 1H11 N N N 0 -6.387 3.658 1.271
54 H112 H 2H11 N N N 0 -5.062 3.052 0.249
55 H121 H 1H12 N N N 0 -6.701 2.819 -1.645
56 H122 H 2H12 N N N 0 -7.942 3.571 -0.615
57 H131 H 1H13 N N N 0 -6.525 5.593 -0.384
58 H132 H 2H13 N N N 0 -5.284 4.841 -1.415
59 H133 H 3H13 N N N 0 -6.877 5.251 -2.095
60 HN2 H HN2 N N N 0 0.374 0.555 -1.311
61 H15 H H15 N N N 0 1.405 -1.108 0.856
62 H16 H H16 N N N 0 2.65 0.9 0.001
63 H171 H 1H17 N N N 0 1.51 -1.988 -2.063
64 H172 H 2H17 N N N 0 2.455 -2.729 -0.75
65 HO3 H HO3 N N N 0 2.962 -0.71 -2.394
66 H181 H 1H18 N N N 0 3.801 -1.033 1.119
67 H182 H 2H18 N N N 0 4.089 -1.745 -0.487
68 HN3 H HN3 N N N 0 5.276 0.297 -1.059
69 H191 H 1H19 N N N 0 6.207 -0.875 1.48
70 H192 H 2H19 N N N 0 6.495 -1.587 -0.125
71 H22 H H22 N N N 0 1.363 -4.029 0.986
72 H24 H H24 N N N 0 -2.667 -5.26 0.304
73 H26 H H26 N N N 0 -0.899 -2.26 -2.166
74 H27 H H27 N N N 0 8.005 -0.525 -1.702
75 H28 H H28 N N N 0 9.971 0.926 -1.999
76 H29 H H29 N N N 0 10.622 2.5 -0.221
77 H31 H H31 N N N 0 7.321 1.174 2.148
78 H321 H 1H32 N N N 0 11.393 2.973 1.668
79 H322 H 2H32 N N N 0 10.36 4.225 0.937
80 H323 H 3H32 N N N 0 10.698 4.259 2.684
81 H333 H 3H33 N N N 0 -3.895 3.239 -3.476
82 H331 H 1H33 N N N 0 -2.728 4.117 -2.459
83 H332 H 2H33 N N N 0 -2.155 2.887 -3.611