Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : TPV

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 75


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 -1.186 1.261 3.775
2 C2 C C2 N N N 0 -0.423 0.662 2.849
3 C3 C C3 N N N 0 -0.602 -0.684 2.469
4 C4 C C4 N N N 0 -1.507 -1.454 3.107
5 C5 C C5 N N N 0 -2.302 -0.831 4.233
6 C6 C C6 R N N 0 -1.476 0.324 4.81
7 O7 O O7 N N N 0 0.459 1.306 2.315
8 O8 O O8 N N N 0 -1.698 -2.741 2.752
9 C9 C C9 N N N 0 -2.272 1.017 5.917
10 C10 C C10 N N N 0 -3.58 1.562 5.341
11 C11 C C11 N N N 0 -4.376 2.255 6.448
12 C12 C C12 N N N 0 -0.168 -0.22 5.386
13 C13 C C13 N N N 0 0.657 0.934 5.957
14 C14 C C14 N Y N 0 1.987 0.411 6.436
15 C15 C C15 N Y N 0 3.095 0.482 5.612
16 C20 C C20 S N N 0 0.219 -1.264 1.347
17 C16 C C16 N Y N 0 4.315 0.003 6.051
18 C17 C C17 N Y N 0 4.427 -0.546 7.315
19 C18 C C18 N Y N 0 3.319 -0.616 8.139
20 C19 C C19 N Y N 0 2.1 -0.133 7.701
21 C21 C C21 N N N 0 1.705 -1.059 1.644
22 C22 C C22 N N N 0 2.122 -1.962 2.806
23 C23 C C23 N Y N 0 -0.135 -0.572 0.055
24 C24 C C24 N Y N 0 0.395 0.672 -0.228
25 C25 C C25 N Y N 0 0.073 1.311 -1.411
26 C26 C C26 N Y N 0 -0.78 0.706 -2.314
27 C27 C C27 N Y N 0 -1.314 -0.543 -2.031
28 N28 N N28 N N N 0 -2.177 -1.157 -2.942
29 C29 C C29 N Y N 0 -0.984 -1.184 -0.844
30 S30 S S30 N N N 0 -2.565 -0.394 -4.359
31 O31 O O31 N N N 0 -3.302 -1.342 -5.119
32 O32 O O32 N N N 0 -3.024 0.898 -3.989
33 C33 C C33 N Y N 0 -1.064 -0.134 -5.245
34 N34 N N34 N Y N 0 -0.385 0.981 -5.064
35 C35 C C35 N Y N 0 0.744 1.216 -5.701
36 C36 C C36 N Y N 0 1.255 0.297 -6.597
37 C37 C C37 N Y N 0 0.566 -0.885 -6.818
38 C38 C C38 N Y N 0 -0.615 -1.1 -6.126
39 C39 C C39 N N N 0 2.545 0.577 -7.325
40 F40 F F40 N N N 0 3.041 1.825 -6.933
41 F41 F F41 N N N 0 3.48 -0.415 -7.014
42 F42 F F42 N N N 0 2.31 0.581 -8.705
43 H51 H 1H5 N N N 0 -2.487 -1.574 5.009
44 H52 H 2H5 N N N 0 -3.25 -0.452 3.85
45 HO81 H 1HO8 N N N 0 -1.244 -3.101 1.978
46 H91 H 1H9 N N N 0 -1.685 1.84 6.326
47 H92 H 2H9 N N N 0 -2.494 0.301 6.708
48 H101 H 1H10 N N N 0 -4.167 0.74 4.932
49 H102 H 2H10 N N N 0 -3.358 2.279 4.55
50 H111 H 1H11 N N N 0 -5.308 2.643 6.038
51 H112 H 2H11 N N N 0 -4.598 1.539 7.239
52 H113 H 3H11 N N N 0 -3.789 3.077 6.858
53 H121 H 1H12 N N N 0 -0.39 -0.935 6.179
54 H122 H 2H12 N N N 0 0.397 -0.716 4.597
55 H131 H 1H13 N N N 0 0.819 1.683 5.181
56 H132 H 2H13 N N N 0 0.122 1.385 6.792
57 H151 H 1H15 N N N 0 3.007 0.912 4.625
58 H161 H 1H16 N N N 0 5.18 0.057 5.407
59 H171 H 1H17 N N N 0 5.38 -0.921 7.658
60 H181 H 1H18 N N N 0 3.407 -1.046 9.126
61 H191 H 1H19 N N N 0 1.235 -0.188 8.345
62 H201 H 1H20 N N N 0 0.01 -2.33 1.256
63 H211 H 1H21 N N N 0 2.291 -1.31 0.76
64 H212 H 2H21 N N N 0 1.882 -0.017 1.912
65 H221 H 1H22 N N N 0 3.174 -1.794 3.038
66 H222 H 2H22 N N N 0 1.516 -1.731 3.682
67 H223 H 3H22 N N N 0 1.973 -3.005 2.527
68 H241 H 1H24 N N N 0 1.063 1.147 0.475
69 H251 H 1H25 N N N 0 0.488 2.283 -1.63
70 H261 H 1H26 N N N 0 -1.032 1.206 -3.237
71 H281 H 1H28 N N N 0 -2.55 -2.031 -2.744
72 H291 H 1H29 N N N 0 -1.397 -2.157 -0.621
73 H351 H 1H35 N N N 0 1.274 2.14 -5.523
74 H371 H 1H37 N N N 0 0.942 -1.622 -7.513
75 H381 H 1H38 N N N 0 -1.177 -2.01 -6.273