Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 25S

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 73


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 4.12 -2.271 -0.472
2 C5 C C5 N N N 0 4.835 -1.298 -0.359
3 N1 N N1 N N N 0 6.174 -1.446 -0.324
4 C4 C C4 N Y N 0 6.735 -2.724 -0.305
5 C3 C C3 N Y N 0 7.964 -2.975 -0.914
6 C2 C C2 N Y N 0 8.484 -4.252 -0.873
7 N N N N Y N 0 7.833 -5.228 -0.269
8 C1 C C1 N Y N 0 6.668 -5.031 0.319
9 C C C N Y N 0 6.083 -3.782 0.327
10 C6 C C6 R N N 0 4.226 0.077 -0.266
11 C24 C C24 N N N 0 4.73 0.938 -1.427
12 C25 C C25 N Y N 0 4.219 2.346 -1.266
13 C28 C C28 N Y N 0 4.833 3.41 -0.468
14 C29 C C29 N Y N 0 5.974 3.486 0.333
15 C30 C C30 N Y N 0 6.283 4.658 0.964
16 C31 C C31 N Y N 0 5.471 5.774 0.815
17 C32 C C32 N Y N 0 4.341 5.721 0.03
18 C27 C C27 N Y N 0 4.007 4.538 -0.622
19 N5 N N5 N Y N 0 2.973 4.173 -1.454
20 C26 C C26 N Y N 0 3.119 2.866 -1.833
21 N2 N N2 N N N 0 2.767 -0.029 -0.334
22 C7 C C7 N N N 0 2.056 -0.278 0.784
23 O O O N N N 0 2.627 -0.415 1.849
24 C8 C C8 N Y N 0 0.588 -0.385 0.715
25 C23 C C23 N Y N 0 -0.152 -0.644 1.876
26 F2 F F2 N N N 0 0.477 -0.797 3.062
27 C22 C C22 N Y N 0 -1.526 -0.743 1.804
28 C11 C C11 N Y N 0 -2.17 -0.584 0.58
29 C10 C C10 N Y N 0 -1.431 -0.328 -0.572
30 C9 C C9 N Y N 0 -0.07 -0.223 -0.507
31 N3 N N3 N N N 0 -3.555 -0.683 0.507
32 C21 C C21 N N N 0 -4.025 -0.485 -0.871
33 C20 C C20 N N N 0 -5.542 -0.68 -0.922
34 N4 N N4 N N N 0 -6.187 0.271 -0.006
35 C13 C C13 N N N 0 -5.717 0.072 1.372
36 C12 C C12 N N N 0 -4.2 0.268 1.423
37 C14 C C14 N Y N 0 -7.58 0.172 -0.079
38 C19 C C19 N Y N 0 -8.378 0.989 0.711
39 C18 C C18 N Y N 0 -9.754 0.889 0.638
40 C17 C C17 N Y N 0 -10.339 -0.024 -0.222
41 F1 F F1 N N N 0 -11.685 -0.119 -0.291
42 C16 C C16 N Y N 0 -9.545 -0.841 -1.013
43 F F F N N N 0 -10.118 -1.731 -1.852
44 C15 C C15 N Y N 0 -8.167 -0.74 -0.946
45 H1 H H1 N N N 0 6.748 -0.664 -0.311
46 H6 H H6 N N N 0 4.513 0.538 0.679
47 H3 H H3 N N N 0 8.501 -2.18 -1.411
48 H H H N N N 0 5.132 -3.626 0.814
49 H2 H H2 N N N 0 9.435 -4.455 -1.342
50 HA H HA N N N 0 6.168 -5.857 0.803
51 H241 H H241 N N N 0 5.82 0.944 -1.429
52 H242 H H242 N N N 0 4.367 0.525 -2.369
53 HB H HB N N N 0 2.312 0.08 -1.184
54 H26 H H26 N N N 0 2.447 2.332 -2.488
55 H29 H H29 N N N 0 6.61 2.622 0.454
56 H30 H H30 N N N 0 7.166 4.716 1.584
57 H31 H H31 N N N 0 5.728 6.694 1.32
58 H32 H H32 N N N 0 3.716 6.595 -0.08
59 H5 H H5 N N N 0 2.251 4.757 -1.734
60 H9 H H9 N N N 0 0.498 -0.019 -1.403
61 H22 H H22 N N N 0 -2.102 -0.942 2.695
62 H10 H H10 N N N 0 -1.935 -0.206 -1.519
63 H211 H H211 N N N 0 -3.777 0.525 -1.197
64 H212 H H212 N N N 0 -3.543 -1.209 -1.527
65 H121 H H121 N N N 0 -3.845 0.092 2.439
66 H122 H H122 N N N 0 -3.954 1.286 1.123
67 H201 H H201 N N N 0 -5.898 -0.504 -1.937
68 H202 H H202 N N N 0 -5.788 -1.698 -0.621
69 H131 H H131 N N N 0 -6.199 0.797 2.029
70 H132 H H132 N N N 0 -5.965 -0.937 1.699
71 H18 H H18 N N N 0 -10.374 1.525 1.253
72 H19 H H19 N N N 0 -7.923 1.701 1.383
73 H15 H H15 N N N 0 -7.548 -1.373 -1.565