Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XR7

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 111


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N Y N 0 -8.44 2.24 -0.205
2 C02 C C2 N Y N 0 -8.408 0.854 -0.201
3 C03 C C3 N Y N 0 -7.335 0.187 0.388
4 C04 C C4 N N N 0 -7.295 -1.294 0.395
5 C05 C C5 N Y N 0 -8.156 -2.058 1.311
6 C06 C C6 N Y N 0 -8.081 -3.468 1.281
7 C07 C C7 N Y N 0 -8.885 -4.221 2.137
8 C08 C C8 N Y N 0 -9.741 -3.582 2.999
9 C09 C C9 N Y N 0 -9.816 -2.196 3.03
10 C10 C C10 N Y N 0 -9.032 -1.431 2.195
11 C11 C C11 N N N 0 -6.467 -1.962 -0.446
12 C12 C C12 N N N 0 -5.474 -3.968 -1.405
13 C13 C C13 N N N 0 -7.149 -4.098 0.338
14 C14 C C14 N Y N 0 -7.403 2.963 0.372
15 C15 C C15 N Y N 0 -6.337 2.305 0.956
16 C16 C C16 N Y N 0 -6.297 0.921 0.971
17 C17 C C17 N N N 0 -4.224 1.089 2.123
18 C18 C C18 N N N 0 -3.135 0.193 2.718
19 C19 C C19 N N N 0 -1.455 -1.409 2.121
20 C20 C C20 N N N 0 -0.843 -2.135 0.921
21 C21 C C21 N N N 0 0.412 -1.764 -1.087
22 C22 C C22 N N N 0 1.069 -0.663 -1.921
23 C23 C C23 N N N 0 2.828 0.965 -1.872
24 C24 C C24 N N N 0 3.951 1.512 -0.989
25 C25 C C25 N Y N 0 6.004 0.817 -0.01
26 C26 C C26 N Y N 0 7.001 -0.132 0.237
27 C27 C C27 N N N 0 6.888 -1.495 -0.335
28 C28 C C28 N N N 0 6.02 -2.391 0.195
29 C29 C C29 N N N 0 4.924 -4.562 0.328
30 C30 C C30 N N N 0 6.606 -4.097 -1.351
31 C31 C C31 N Y N 0 7.57 -3.198 -1.997
32 C32 C C32 N Y N 0 7.713 -1.889 -1.487
33 C33 C C33 N Y N 0 8.62 -1.012 -2.079
34 C34 C C34 N Y N 0 9.368 -1.436 -3.156
35 C35 C C35 N Y N 0 9.225 -2.723 -3.656
36 C36 C C36 N Y N 0 8.337 -3.603 -3.088
37 C37 C C37 N Y N 0 8.1 0.208 1.022
38 C38 C C38 N Y N 0 8.2 1.485 1.553
39 C39 C C39 N N N 0 10.71 3.131 0.377
40 C40 C C40 N N N 0 11.573 4.352 0.053
41 C41 C C41 N Y N 0 7.206 2.423 1.305
42 C42 C C42 N Y N 0 6.113 2.089 0.526
43 C43 C C43 N N N 0 -8.358 3.497 -3.214
44 C44 C C44 N N N 0 -8.04 4.605 -4.22
45 N01 N N1 N N N 0 -9.516 2.912 -0.796
46 N02 N N2 N N N 0 -6.4 -3.323 -0.47
47 N03 N N3 N N N 0 5.886 -3.654 -0.302
48 N04 N N4 N N N 0 9.304 1.829 2.342
49 O01 O O1 N N N 0 -8.376 5.048 -1.043
50 O02 O O2 N N N 0 -7.057 -5.311 0.284
51 O03 O O3 N N N 0 -5.248 0.276 1.547
52 O04 O O4 N N N 0 -2.494 -0.537 1.67
53 O05 O O5 N N N 0 -0.197 -1.187 0.07
54 O06 O O6 N N N 0 2.143 -0.08 -1.18
55 O07 O O7 N N N 0 4.931 0.493 -0.779
56 O08 O O8 N N N 0 6.454 -5.233 -1.763
57 O09 O O9 N N N 0 11.175 3.237 3.002
58 O10 O O10 N N N 0 9.076 4.246 2.168
59 O11 O O11 N N N 0 -10.536 4.637 -2.177
60 S01 S S1 N N N 0 -9.238 4.204 -1.794
61 S02 S S2 N N N 0 10.095 3.26 2.079
62 H1 H H1 N N N 0 -9.212 0.293 -0.652
63 H2 H H2 N N N 0 -8.835 -5.3 2.12
64 H3 H H3 N N N 0 -10.364 -4.165 3.661
65 H4 H H4 N N N 0 -10.496 -1.713 3.716
66 H5 H H5 N N N 0 -9.095 -0.353 2.225
67 H6 H H6 N N N 0 -5.84 -1.396 -1.12
68 H7 H H7 N N N 0 -5.54 -5.05 -1.293
69 H8 H H8 N N N 0 -5.738 -3.691 -2.426
70 H9 H H9 N N N 0 -4.456 -3.641 -1.191
71 H10 H H10 N N N 0 -7.429 4.042 0.363
72 H11 H H11 N N N 0 -5.533 2.871 1.402
73 H12 H H12 N N N 0 -4.652 1.71 2.909
74 H13 H H13 N N N 0 -3.789 1.726 1.353
75 H14 H H14 N N N 0 -2.4 0.809 3.235
76 H15 H H15 N N N 0 -3.585 -0.505 3.424
77 H16 H H16 N N N 0 -1.87 -2.14 2.815
78 H17 H H17 N N N 0 -0.685 -0.826 2.625
79 H18 H H18 N N N 0 -0.113 -2.865 1.272
80 H19 H H19 N N N 0 -1.629 -2.646 0.366
81 H20 H H20 N N N 0 -0.348 -2.267 -1.685
82 H21 H H21 N N N 0 1.168 -2.486 -0.778
83 H22 H H22 N N N 0 1.456 -1.089 -2.847
84 H23 H H23 N N N 0 0.331 0.105 -2.155
85 H24 H H24 N N N 0 2.126 1.766 -2.106
86 H25 H H25 N N N 0 3.251 0.572 -2.797
87 H26 H H26 N N N 0 4.416 2.367 -1.48
88 H27 H H27 N N N 0 3.539 1.823 -0.029
89 H28 H H28 N N N 0 5.413 -2.095 1.038
90 H29 H H29 N N N 0 3.954 -4.457 -0.157
91 H30 H H30 N N N 0 5.274 -5.589 0.225
92 H31 H H31 N N N 0 4.83 -4.314 1.386
93 H32 H H32 N N N 0 8.736 -0.009 -1.696
94 H33 H H33 N N N 0 10.072 -0.759 -3.617
95 H34 H H34 N N N 0 9.819 -3.036 -4.502
96 H35 H H35 N N N 0 8.234 -4.602 -3.485
97 H36 H H36 N N N 0 8.873 -0.521 1.216
98 H37 H H37 N N N 0 9.866 3.089 -0.312
99 H38 H H38 N N N 0 11.308 2.226 0.274
100 H39 H H39 N N N 0 12.417 4.394 0.742
101 H40 H H40 N N N 0 11.942 4.274 -0.97
102 H41 H H41 N N N 0 10.975 5.257 0.156
103 H42 H H42 N N N 0 7.286 3.416 1.721
104 H43 H H43 N N N 0 5.343 2.822 0.336
105 H44 H H44 N N N 0 -8.983 2.742 -3.69
106 H45 H H45 N N N 0 -7.429 3.038 -2.874
107 H46 H H46 N N N 0 -7.415 5.36 -3.744
108 H47 H H47 N N N 0 -7.511 4.18 -5.074
109 H48 H H48 N N N 0 -8.969 5.064 -4.56
110 H49 H H49 N N N 0 -10.425 2.622 -0.62
111 H50 H H50 N N N 0 9.605 1.23 3.043