Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 214

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 Y N 0 -5.568 3.681 1.818
2 C2 C C2 N Y N 0 -4.78 3.278 2.88
3 C3 C C3 N Y N 0 -3.547 2.698 2.644
4 C4 C C4 N Y N 0 -3.103 2.521 1.347
5 C5 C C5 N Y N 0 -3.889 2.929 0.286
6 C6 C C6 N Y N 0 -5.124 3.505 0.521
7 C10 C C10 N Y N 0 -2.724 -1.03 -0.276
8 C11 C C11 N Y N 0 -2.943 -0.279 0.863
9 C12 C C12 N Y N 0 -4.216 -0.178 1.391
10 C13 C C13 N Y N 0 -5.273 -0.82 0.773
11 C14 C C14 N Y N 0 -5.055 -1.57 -0.368
12 C15 C C15 N Y N 0 -3.78 -1.675 -0.892
13 C20 C C20 N Y N 0 1.147 0.965 2.204
14 C21 C C21 N Y N 0 0.672 2.079 1.536
15 C22 C C22 N Y N 0 1.437 2.682 0.554
16 C23 C C23 N Y N 0 2.681 2.174 0.236
17 C24 C C24 N Y N 0 3.164 1.051 0.905
18 C25 C C25 N Y N 0 2.387 0.445 1.89
19 C30 C C30 R N N 0 -1.76 1.889 1.09
20 N31 N N31 N Y N 0 -1.453 1.959 -0.34
21 C32 C C32 N N N 0 -0.684 2.638 1.88
22 C35 C C35 N N N 0 -1.791 0.425 1.534
23 C40 C C40 N Y N 0 -0.808 4.946 -3.097
24 C41 C C41 N Y N 0 -0.769 3.617 -3.4
25 C42 C C42 N Y N 0 -1.0 2.665 -2.398
26 C43 C C43 N Y N 0 -1.276 3.098 -1.089
27 C44 C C44 N Y N 0 -1.306 4.458 -0.801
28 C45 C C45 N Y N 0 -1.075 5.373 -1.803
29 N46 N N46 N Y N 0 -1.027 1.317 -2.397
30 N47 N N47 N Y N 0 -1.287 0.876 -1.217
31 C52 C C52 N N N 0 -6.206 -2.273 -1.039
32 F53 F F53 N N N 0 -7.361 -1.492 -0.922
33 F54 F F54 N N N 0 -5.909 -2.466 -2.393
34 P55 P P55 N N N 0 -6.481 -3.889 -0.241
35 O56 O O56 N N N 0 -5.113 -4.737 -0.261
36 O57 O O57 N N N 0 -6.949 -3.662 1.283
37 O58 O O58 N N N 0 -7.531 -4.629 -0.975
38 C61 C C61 N Y N 0 5.528 1.357 0.22
39 C62 C C62 N Y N 0 9.06 1.084 -0.756
40 C71 C C71 N N N 0 10.524 -0.925 -1.034
41 N66 N N66 N Y N 0 8.19 -1.078 -0.371
42 C63 C C63 N Y N 0 7.861 1.666 -0.457
43 C64 C C64 N Y N 0 6.787 0.829 -0.099
44 C65 C C65 N Y N 0 6.991 -0.574 -0.062
45 C67 C C67 N Y N 0 9.193 -0.302 -0.701
46 C68 C C68 N Y N 0 4.5 0.501 0.567
47 O80 O O80 N N N 0 5.828 -3.844 -1.093
48 C69 C C69 N Y N 0 4.71 -0.887 0.601
49 C70 C C70 N Y N 0 5.923 -1.417 0.295
50 P79 P P79 N N N 0 6.166 -3.214 0.349
51 O81 O O81 N N N 0 7.697 -3.537 0.73
52 O82 O O82 N N N 0 5.269 -3.803 1.368
53 H1 H H1 N N N 0 -6.532 4.133 2.002
54 H2 H H2 N N N 0 -5.127 3.415 3.893
55 H3 H H3 N N N 0 -2.931 2.383 3.474
56 H5 H H5 N N N 0 -3.542 2.791 -0.728
57 H6 H H6 N N N 0 -5.74 3.819 -0.308
58 H10 H H10 N N N 0 -1.728 -1.112 -0.686
59 H12 H H12 N N N 0 -4.387 0.408 2.282
60 H13 H H13 N N N 0 -6.269 -0.737 1.182
61 H15 H H15 N N N 0 -3.609 -2.261 -1.783
62 H20 H H20 N N N 0 0.546 0.498 2.97
63 H22 H H22 N N N 0 1.062 3.551 0.036
64 H23 H H23 N N N 0 3.277 2.646 -0.531
65 H25 H H25 N N N 0 2.757 -0.425 2.412
66 H321 H 1H32 N N N 0 -0.867 2.518 2.948
67 H322 H 2H32 N N N 0 -0.717 3.697 1.623
68 H351 H 1H35 N N N 0 -0.856 -0.06 1.255
69 H352 H 2H35 N N N 0 -1.916 0.376 2.616
70 H40 H H40 N N N 0 -0.628 5.676 -3.873
71 H41 H H41 N N N 0 -0.559 3.298 -4.41
72 H44 H H44 N N N 0 -1.514 4.794 0.204
73 H45 H H45 N N N 0 -1.102 6.43 -1.581
74 H56 H H56 N N N 0 -4.456 -4.22 0.226
75 H57 H H57 N N N 0 -7.083 -4.539 1.667
76 H61 H H61 N N N 0 5.363 2.424 0.195
77 H62 H H62 N N N 0 9.905 1.698 -1.035
78 H711 H 1H71 N N N 0 11.123 -1.009 -0.128
79 H712 H 2H71 N N N 0 10.365 -1.916 -1.458
80 H713 H 3H71 N N N 0 11.046 -0.3 -1.758
81 H63 H H63 N N N 0 7.741 2.739 -0.495
82 H69 H H69 N N N 0 3.897 -1.542 0.874
83 H80 H H80 N N N 0 6.433 -3.435 -1.727
84 H81 H H81 N N N 0 7.783 -4.5 0.748