Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : UFW

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 C20 C C1 N Y N 0 -0.331 1.307 0.589
2 C21 C C2 N N N 0 -0.381 0.164 1.57
3 C10 C C3 N N N 0 6.866 -0.583 0.58
4 C11 C C4 N N N 0 5.627 0.118 0.019
5 C12 C C5 N N N 0 4.461 -0.871 -0.033
6 C13 C C6 N N N 0 3.222 -0.17 -0.594
7 C14 C C7 N N N 0 2.074 -1.144 -0.646
8 C16 C C8 N N N 0 -0.244 -1.692 -1.159
9 C22 C C9 N Y N 0 0.456 2.409 0.852
10 C17 C C10 S N N 0 -1.483 -0.991 -1.719
11 C19 C C11 N Y N 0 -1.074 1.249 -0.587
12 O01 O O1 N N N 0 10.561 -3.217 0.129
13 C02 C C12 N N N 0 10.33 -2.063 0.436
14 N03 N N1 N N N 0 9.226 -1.69 1.098
15 C04 C C13 S N N 0 9.261 -0.234 1.308
16 C05 C C14 R N N 0 10.579 0.203 0.657
17 C06 C C15 N N N 0 10.359 1.178 -0.517
18 S07 S S1 N N N 0 8.648 0.778 -1.06
19 N08 N N2 N N N 0 11.159 -1.05 0.149
20 C09 C C16 S N N 0 8.032 0.406 0.632
21 N15 N N3 N N N 0 0.872 -0.745 -1.108
22 N18 N N4 N N N 0 -1.865 0.137 -0.859
23 C23 C C17 N Y N 0 0.503 3.459 -0.048
24 C24 C C18 N N N 0 1.364 4.661 0.244
25 C25 C C19 N Y N 0 -0.239 3.409 -1.216
26 C26 C C20 N Y N 0 -1.024 2.309 -1.49
27 C27 C C21 N N N 0 -1.831 2.255 -2.762
28 C28 C C22 N N N 0 -3.132 -0.083 -0.367
29 AU1 AU AU1 N N N 0 -4.035 1.114 0.79
30 N30 N N5 N N N 0 -3.669 -1.271 -0.811
31 C31 C C23 N Y N 0 -4.929 -1.76 -0.483
32 C32 C C24 N Y N 0 -5.093 -2.576 0.634
33 C33 C C25 N N N 0 -3.905 -2.93 1.491
34 C34 C C26 N Y N 0 -6.345 -3.059 0.955
35 C35 C C27 N Y N 0 -7.437 -2.734 0.169
36 C36 C C28 N N N 0 -8.802 -3.264 0.524
37 C37 C C29 N Y N 0 -7.279 -1.924 -0.942
38 C38 C C30 N Y N 0 -6.032 -1.431 -1.268
39 C39 C C31 N N N 0 -5.861 -0.549 -2.477
40 C40 C C32 N N N 0 -2.695 -1.939 -1.689
41 O41 O O2 N N N 0 2.231 -2.287 -0.271
42 H1 H H1 N N N 0 -1.114 0.383 2.346
43 H2 H H2 N N N 0 -0.666 -0.75 1.049
44 H3 H H3 N N N 0 0.601 0.031 2.024
45 H4 H H4 N N N 0 6.654 -0.948 1.584
46 H5 H H5 N N N 0 7.13 -1.423 -0.064
47 H6 H H6 N N N 0 5.363 0.957 0.662
48 H7 H H7 N N N 0 5.84 0.483 -0.986
49 H8 H H8 N N N 0 4.726 -1.711 -0.677
50 H9 H H9 N N N 0 4.249 -1.236 0.971
51 H10 H H10 N N N 0 2.958 0.67 0.049
52 H11 H H11 N N N 0 3.435 0.195 -1.599
53 H12 H H12 N N N 0 -0.457 -2.057 -0.154
54 H13 H H13 N N N 0 0.02 -2.532 -1.802
55 H14 H H14 N N N 0 1.036 2.453 1.762
56 H16 H H16 N N N 0 8.518 -2.284 1.392
57 H17 H H17 N N N 0 9.267 -0.006 2.374
58 H18 H H18 N N N 0 11.237 0.651 1.401
59 H19 H H19 N N N 0 10.425 2.212 -0.178
60 H20 H H20 N N N 0 11.074 0.987 -1.317
61 H21 H H21 N N N 0 12.003 -1.13 -0.322
62 H22 H H22 N N N 0 7.741 1.321 1.147
63 H23 H H23 N N N 0 0.747 0.169 -1.408
64 H24 H H24 N N N 0 2.361 4.502 -0.168
65 H25 H H25 N N N 0 0.92 5.546 -0.211
66 H26 H H26 N N N 0 1.435 4.804 1.322
67 H27 H H27 N N N 0 -0.199 4.231 -1.915
68 H28 H H28 N N N 0 -1.206 1.879 -3.572
69 H29 H H29 N N N 0 -2.684 1.591 -2.623
70 H30 H H30 N N N 0 -2.185 3.255 -3.01
71 H32 H H32 N N N 0 -3.79 -2.185 2.279
72 H33 H H33 N N N 0 -4.06 -3.911 1.939
73 H34 H H34 N N N 0 -3.006 -2.949 0.876
74 H35 H H35 N N N 0 -6.473 -3.691 1.821
75 H36 H H36 N N N 0 -9.303 -2.562 1.19
76 H37 H H37 N N N 0 -9.392 -3.387 -0.385
77 H38 H H38 N N N 0 -8.7 -4.228 1.022
78 H39 H H39 N N N 0 -8.134 -1.669 -1.55
79 H40 H H40 N N N 0 -5.995 0.493 -2.189
80 H41 H H41 N N N 0 -4.86 -0.686 -2.888
81 H42 H H42 N N N 0 -6.602 -0.817 -3.23
82 H43 H H43 N N N 0 -3.108 -2.06 -2.69
83 H15 H H15 N N N 0 -1.296 -0.647 -2.736
84 H31 H H31 N N N 0 -2.411 -2.906 -1.275