Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : 2DX

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 84


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 6.939 0.231 -3.678
2 C2 C C2 N N N 0 5.941 -0.295 -2.645
3 C3 C C3 S N N 0 5.761 0.743 -1.536
4 N5 N N5 N N N 0 7.026 0.906 -0.807
5 C6 C C6 N N N 0 7.115 2.239 -0.198
6 C7 C C7 N N N 0 4.689 0.28 -0.583
7 O8 O O8 N N N 0 4.99 -0.346 0.411
8 N9 N N9 N N N 0 3.395 0.56 -0.837
9 C10 C C10 S N N 0 2.353 0.11 0.089
10 C12 C C12 N N N 0 2.2 1.129 1.22
11 C13 C C13 N N N 0 1.087 0.676 2.167
12 C14 C C14 N N N 0 0.935 1.695 3.298
13 C15 C C15 N N N 0 2.251 1.801 4.071
14 C16 C C16 N N N 0 3.364 2.253 3.124
15 C17 C C17 N N N 0 3.516 1.234 1.993
16 C18 C C18 N N N 0 1.046 -0.02 -0.65
17 O19 O O19 N N N 0 0.795 0.726 -1.573
18 N20 N N20 N N N 0 0.157 -0.965 -0.286
19 C21 C C21 N N N 0 0.403 -1.796 0.91
20 C22 C C22 R N N 0 0.205 -3.247 0.482
21 C24 C C24 N N N 0 0.23 -4.237 1.652
22 C25 C C25 N N N 0 -0.821 -5.308 1.268
23 C26 C C26 N N N 0 -1.421 -4.817 -0.076
24 N27 N N27 N N N 0 -1.179 -3.365 -0.051
25 C28 C C28 N N N 0 -1.266 -2.678 -1.334
26 C29 C C29 S N N 0 -1.066 -1.171 -1.072
27 C31 C C31 N N N 0 -2.248 -0.629 -0.311
28 O32 O O32 N N N 0 -2.087 -0.121 0.779
29 N33 N N33 N N N 0 -3.485 -0.708 -0.84
30 C34 C C34 R N N 0 -4.634 -0.181 -0.1
31 C35 C C35 N N N 0 -5.905 -0.906 -0.549
32 C36 C C36 N N N 0 -7.116 -0.147 0.01
33 O37 O O37 N N N 0 -7.152 1.148 -0.589
34 C38 C C38 N Y N 0 -6.006 1.878 -0.594
35 C39 C C39 N Y N 0 -6.09 3.245 -0.833
36 C40 C C40 N Y N 0 -4.948 4.019 -0.85
37 C41 C C41 N Y N 0 -3.715 3.435 -0.629
38 C42 C C42 N Y N 0 -3.627 2.077 -0.389
39 C43 C C43 N Y N 0 -4.77 1.296 -0.369
40 H1 H H1 N N N 0 7.068 -0.509 -4.469
41 H2 H H2 N N N 0 6.562 1.159 -4.108
42 H3 H H3 N N N 0 7.898 0.417 -3.196
43 H4 H H4 N N N 0 4.982 -0.482 -3.128
44 H5 H H5 N N N 0 6.318 -1.224 -2.216
45 H6 H H6 N N N 0 5.469 1.697 -1.975
46 H7 H H7 N N N 0 7.816 0.73 -1.41
47 H9 H H9 N N N 0 6.979 3.0 -0.966
48 H10 H H10 N N N 0 6.338 2.345 0.559
49 H11 H H11 N N N 0 8.094 2.362 0.266
50 H12 H H12 N N N 0 3.154 1.06 -1.632
51 H13 H H13 N N N 0 2.632 -0.858 0.507
52 H14 H H14 N N N 0 1.946 2.102 0.8
53 H15 H H15 N N N 0 0.15 0.601 1.617
54 H16 H H16 N N N 0 1.341 -0.297 2.587
55 H17 H H17 N N N 0 0.681 2.669 2.878
56 H18 H H18 N N N 0 0.142 1.373 3.973
57 H19 H H19 N N N 0 2.142 2.527 4.877
58 H20 H H20 N N N 0 2.505 0.827 4.491
59 H21 H H21 N N N 0 3.11 3.227 2.704
60 H22 H H22 N N N 0 4.301 2.329 3.674
61 H23 H H23 N N N 0 3.77 0.261 2.413
62 H24 H H24 N N N 0 4.309 1.557 1.318
63 H25 H H25 N N N 0 1.423 -1.647 1.264
64 H26 H H26 N N N 0 -0.307 -1.537 1.696
65 H27 H H27 N N N 0 0.933 -3.521 -0.281
66 H28 H H28 N N N 0 1.218 -4.689 1.748
67 H29 H H29 N N N 0 -0.053 -3.74 2.579
68 H30 H H30 N N N 0 -0.343 -6.279 1.137
69 H31 H H31 N N N 0 -1.598 -5.368 2.031
70 H32 H H32 N N N 0 -0.904 -5.278 -0.918
71 H33 H H33 N N N 0 -2.489 -5.027 -0.118
72 H35 H H35 N N N 0 -0.489 -3.046 -2.004
73 H36 H H36 N N N 0 -2.248 -2.847 -1.777
74 H37 H H37 N N N 0 -0.978 -0.646 -2.023
75 H38 H H38 N N N 0 -3.614 -1.114 -1.712
76 H39 H H39 N N N 0 -4.483 -0.343 0.967
77 H40 H H40 N N N 0 -5.954 -0.922 -1.638
78 H41 H H41 N N N 0 -5.902 -1.926 -0.166
79 H42 H H42 N N N 0 -8.031 -0.688 -0.229
80 H43 H H43 N N N 0 -7.019 -0.049 1.092
81 H44 H H44 N N N 0 -7.053 3.703 -1.006
82 H45 H H45 N N N 0 -5.017 5.081 -1.036
83 H46 H H46 N N N 0 -2.82 4.04 -0.643
84 H47 H H47 N N N 0 -2.662 1.623 -0.217