Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : RID

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 78


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 -0.057 -0.258 -0.416
2 N3 N N3 N N N 0 4.33 -1.792 -0.241
3 C5 C C5 N Y N 0 0.481 0.989 -0.229
4 C6 C C6 N N N 0 0.644 -2.688 -0.061
5 C7 C C7 N N N 0 -1.387 -0.539 -0.963
6 C8 C C8 N N N 0 -2.426 -0.458 0.157
7 C10 C C10 N N N 0 -4.854 -0.682 0.699
8 C13 C C13 N N N 0 0.513 -3.141 -1.517
9 C15 C C15 N Y N 0 -1.237 3.74 -2.12
10 C17 C C17 N N N 0 5.404 -0.917 -0.738
11 C20 C C20 N N N 0 6.683 -1.751 -0.873
12 C21 C C21 N Y N 0 -0.315 3.248 0.452
13 C22 C C22 N Y N 0 4.121 3.723 0.042
14 C24 C C24 N Y N 0 -0.925 4.448 0.155
15 C26 C C26 N N N 0 4.105 -3.072 -0.931
16 C28 C C28 N Y N 0 4.472 3.906 1.367
17 O5 O O5 N N N 0 2.978 -2.56 1.676
18 S1 S S1 N N N 0 3.406 -1.352 1.062
19 O2 O O2 N N N 0 4.137 -0.347 1.75
20 C23 C C23 N N N 0 5.45 -3.796 -1.057
21 O1 O O1 N N N 0 6.404 -2.918 -1.65
22 C2 C C2 N Y N 0 1.957 -0.572 0.433
23 C1 C C1 N Y N 0 1.747 0.821 0.305
24 C31 C C31 N Y N 0 2.699 1.895 0.675
25 C25 C C25 N Y N 0 3.236 2.724 -0.309
26 C19 C C19 N Y N 0 3.938 3.09 2.349
27 C16 C C16 N Y N 0 3.051 2.088 2.01
28 C12 C C12 N Y N 0 0.85 -1.195 -0.016
29 C14 C C14 N N N 0 -0.632 -3.049 0.702
30 C27 C C27 N Y N 0 -0.172 2.276 -0.54
31 C30 C C30 N Y N 0 -1.386 4.696 -1.128
32 F1 F F1 N N N 0 -1.982 5.874 -1.413
33 C18 C C18 N Y N 0 -0.633 2.533 -1.834
34 C9 C C9 R N N 0 -3.793 -0.881 -0.384
35 O4 O O4 N N N 0 -3.75 -2.259 -0.762
36 C11 C C11 R N N 0 -6.238 -0.986 0.12
37 O3 O O3 N N N 0 -6.313 -2.368 -0.233
38 C35 C C35 N N N 0 -7.309 -0.668 1.165
39 C36 C C36 N N N 0 -8.675 -0.849 0.555
40 O7 O O7 N N N 0 -8.781 -1.198 -0.597
41 O6 O O6 N N N 0 -9.774 -0.624 1.292
42 H6 H H6 N N N 0 1.496 -3.187 0.399
43 H7 H H7 N N N 0 -1.625 0.195 -1.733
44 H7A H H7A N N N 0 -1.397 -1.538 -1.397
45 H8 H H8 N N N 0 -2.136 -1.123 0.97
46 H8A H H8A N N N 0 -2.482 0.566 0.527
47 H10 H H10 N N N 0 -4.653 -1.355 1.533
48 H10A H H10A N N N 0 -4.826 0.35 1.051
49 H13 H H13 N N N 0 1.37 -2.783 -2.087
50 H13A H H13A N N N 0 0.479 -4.229 -1.557
51 H13B H H13B N N N 0 -0.403 -2.732 -1.944
52 H15 H H15 N N N 0 -1.597 3.938 -3.118
53 H17 H H17 N N N 0 5.126 -0.511 -1.71
54 H17A H H17A N N N 0 5.569 -0.102 -0.033
55 H20 H H20 N N N 0 7.453 -1.159 -1.368
56 H20A H H20A N N N 0 7.031 -2.047 0.117
57 H21 H H21 N N N 0 0.052 3.059 1.451
58 H22 H H22 N N N 0 4.538 4.365 -0.72
59 H24 H H24 N N N 0 -1.037 5.2 0.923
60 H26 H H26 N N N 0 3.411 -3.683 -0.355
61 H26A H H26A N N N 0 3.694 -2.886 -1.924
62 H28 H H28 N N N 0 5.166 4.688 1.637
63 H23 H H23 N N N 0 5.796 -4.096 -0.068
64 H23A H H23A N N N 0 5.331 -4.68 -1.684
65 H25 H H25 N N N 0 2.959 2.586 -1.344
66 H19 H H19 N N N 0 4.215 3.238 3.382
67 H16 H H16 N N N 0 2.635 1.452 2.777
68 H14 H H14 N N N 0 -0.72 -4.133 0.77
69 H14A H H14A N N N 0 -0.589 -2.624 1.704
70 H14B H H14B N N N 0 -1.497 -2.647 0.174
71 H18 H H18 N N N 0 -0.518 1.789 -2.607
72 H9 H H9 N N N 0 -4.043 -0.273 -1.254
73 HO4 H HO4 N N N 0 -3.533 -2.859 -0.036
74 H11 H H11 N N N 0 -6.402 -0.374 -0.767
75 HO3 H HO3 N N N 0 -6.175 -2.972 0.51
76 H35 H H35 N N N 0 -7.198 -1.34 2.016
77 H35A H H35A N N N 0 -7.195 0.363 1.5
78 HO6 H HO6 N N N 0 -10.628 -0.754 0.857