Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : SSR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 62


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 3.901 2.411 0.911
2 C2 C C2 N Y N 0 3.669 1.084 0.623
3 C3 C C3 N Y N 0 2.464 0.697 0.047
4 C4 C C4 N Y N 0 1.491 1.668 -0.237
5 C5 C C5 N Y N 0 1.733 3.007 0.057
6 C6 C C6 N Y N 0 2.936 3.374 0.63
7 N9 N N9 N Y N 0 1.955 -0.527 -0.347
8 C10 C C10 N Y N 0 0.71 -0.376 -0.863
9 C11 C C11 N Y N 0 0.354 0.94 -0.831
10 C12 C C12 N N N 0 0.689 4.051 -0.247
11 O16 O O16 N N N 0 3.179 4.681 0.92
12 C17 C C17 N N N 0 -0.913 1.52 -1.296
13 N18 N N18 N N N 0 -1.842 1.913 -0.403
14 C19 C C19 N N N 0 -3.162 2.388 -0.845
15 C20 C C20 N N N 0 -4.24 1.621 -0.072
16 N21 N N21 N N N 0 -3.986 1.747 1.37
17 C22 C C22 N N N 0 -2.704 1.133 1.74
18 C23 C C23 N N N 0 -1.565 1.874 1.041
19 O32 O O32 N N N 0 -1.124 1.644 -2.488
20 C35 C C35 N Y N 0 2.628 -1.75 -0.228
21 C36 C C36 N Y N 0 2.932 -2.257 1.028
22 C37 C C37 N Y N 0 3.596 -3.463 1.142
23 C38 C C38 N Y N 0 3.959 -4.164 0.007
24 C39 C C39 N Y N 0 3.659 -3.661 -1.245
25 C40 C C40 N Y N 0 2.989 -2.459 -1.366
26 C46 C C46 N N N 0 -0.151 -1.494 -1.393
27 C47 C C47 N Y N 0 -1.114 -1.937 -0.321
28 C50 C C50 N Y N 0 -2.476 -1.817 -0.525
29 C51 C C51 N Y N 0 -3.361 -2.224 0.46
30 C52 C C52 N Y N 0 -2.88 -2.75 1.647
31 C53 C C53 N Y N 0 -1.517 -2.869 1.848
32 C54 C C54 N Y N 0 -0.635 -2.468 0.862
33 C58 C C58 N N N 0 -2.998 -1.244 -1.817
34 F62 F F62 N N N 0 -4.692 -2.107 0.262
35 H1 H H1 N N N 0 4.836 2.705 1.362
36 H2 H H2 N N N 0 4.424 0.344 0.844
37 H12 H H12 N N N 0 0.033 4.17 0.615
38 H12A H H12A N N N 0 1.178 5.0 -0.466
39 H12B H H12B N N N 0 0.102 3.737 -1.11
40 HO16 H HO16 N N N 0 3.597 5.172 0.2
41 H19 H H19 N N N 0 -3.254 3.455 -0.642
42 H19A H H19A N N N 0 -3.277 2.205 -1.914
43 H20 H H20 N N N 0 -5.22 2.036 -0.306
44 H20A H H20A N N N 0 -4.212 0.569 -0.356
45 HN21 H HN21 N N N 0 -4.023 2.712 1.661
46 H22 H H22 N N N 0 -2.57 1.194 2.82
47 H22A H H22A N N N 0 -2.697 0.088 1.431
48 H23 H H23 N N N 0 -0.626 1.352 1.22
49 H23A H H23A N N N 0 -1.501 2.891 1.429
50 H36 H H36 N N N 0 2.649 -1.71 1.916
51 H37 H H37 N N N 0 3.832 -3.859 2.119
52 H38 H H38 N N N 0 4.479 -5.106 0.098
53 H39 H H39 N N N 0 3.944 -4.21 -2.13
54 H40 H H40 N N N 0 2.75 -2.069 -2.344
55 H46 H H46 N N N 0 -0.709 -1.143 -2.261
56 H46A H H46A N N N 0 0.481 -2.333 -1.682
57 H52 H H52 N N N 0 -3.569 -3.068 2.415
58 H53 H H53 N N N 0 -1.142 -3.279 2.773
59 H54 H H54 N N N 0 0.429 -2.565 1.018
60 H58 H H58 N N N 0 -3.042 -2.029 -2.571
61 H58A H H58A N N N 0 -3.996 -0.837 -1.657
62 H58B H H58B N N N 0 -2.332 -0.45 -2.157