Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KGX

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 87


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 5.914 3.902 0.045
2 C7 C C1 S N N 0 3.049 -0.521 -3.099
3 C8 C C2 N Y N 0 2.282 -2.453 0.552
4 N2 N N2 N N N 0 4.953 2.101 -1.087
5 C9 C C3 N N N 0 1.616 -1.186 0.508
6 O1 O O1 N N N 0 4.078 -0.696 -0.972
7 C1 C C4 N N N 0 5.882 5.31 0.449
8 O5 O O2 N N N 0 -2.989 4.298 -0.942
9 C5 C C5 R N N 0 3.855 -2.063 -1.394
10 C6 C C6 R N N 0 2.849 -1.956 -2.562
11 N3 N N3 N Y N 0 3.285 -2.849 -0.298
12 C4 C C7 R N N 0 4.151 0.072 -2.193
13 O4 O O3 N N N 0 -3.251 1.015 0.358
14 C3 C C8 N N N 0 3.873 1.55 -1.909
15 O3 O O4 N N N 0 3.154 -2.916 -3.575
16 C2 C C9 N N N 0 4.921 3.395 -0.711
17 N4 N N4 N N N 0 -0.625 1.214 1.492
18 N N N5 N N N 0 7.085 7.038 1.699
19 C C C10 N N N 0 7.117 5.626 1.294
20 O O O5 N N N 0 3.995 4.105 -1.055
21 C10 C C11 N N N 0 1.071 -0.147 0.473
22 C11 C C12 N N N 0 0.386 1.156 0.428
23 C12 C C13 N N N 0 -1.487 2.394 1.334
24 C13 C C14 R N N 0 -2.428 2.182 0.147
25 C14 C C15 R N N 0 -4.387 1.186 -0.517
26 C15 C C16 R N N 0 -4.746 2.684 -0.409
27 C16 C C17 S N N 0 -3.428 3.355 0.038
28 C17 C C18 N Y N 0 -5.709 -0.108 1.199
29 C18 C C19 N Y N 0 -7.366 -0.851 0.014
30 C19 C C20 N Y N 0 -6.547 -0.094 -0.84
31 C20 C C21 N Y N 0 -7.983 -0.535 -2.579
32 C21 C C22 N Y N 0 -8.522 -1.44 -0.525
33 C22 C C23 N N N 0 0.005 1.196 2.819
34 C23 C C24 N N N 0 -1.025 0.84 3.859
35 C24 C C25 N Y N 0 2.839 -4.463 1.164
36 C25 C C26 N Y N 0 3.654 -4.119 0.07
37 C26 C C27 N Y N 0 4.667 -6.178 0.2
38 C27 C C28 N Y N 0 3.008 -5.735 1.743
39 N10 N N6 N Y N 0 2.031 -3.41 1.414
40 N11 N N7 N Y N 0 4.545 -4.999 -0.373
41 N12 N N8 N Y N 0 3.926 -6.547 1.229
42 N13 N N9 N N N 0 2.237 -6.131 2.821
43 N5 N N10 N Y N 0 -5.507 0.357 -0.066
44 N6 N N11 N Y N 0 -6.8 -0.816 1.244
45 N7 N N12 N Y N 0 -6.891 0.036 -2.118
46 N8 N N13 N Y N 0 -8.784 -1.255 -1.815
47 N9 N N14 N N N 0 -9.367 -2.197 0.267
48 O2 O O6 N N N 0 3.483 -0.551 -4.46
49 O6 O O7 N N N 0 -5.161 3.192 -1.679
50 O7 O O8 N N N 0 -0.682 0.797 5.156
51 O8 O O9 N N N 0 -2.16 0.592 3.526
52 H1 H H1 N N N 0 6.653 3.336 0.319
53 H2 H H2 N N N 0 2.128 0.054 -3.006
54 H3 H H3 N N N 0 5.691 1.535 -0.813
55 H4 H H4 N N N 0 5.878 5.942 -0.439
56 H5 H H5 N N N 0 4.983 5.5 1.034
57 H6 H H6 N N N 0 -3.609 5.024 -1.095
58 H7 H H7 N N N 0 4.788 -2.511 -1.738
59 H8 H H8 N N N 0 1.83 -2.09 -2.201
60 H9 H H9 N N N 0 5.129 -0.048 -2.659
61 H10 H H10 N N N 0 2.926 1.646 -1.378
62 H11 H H11 N N N 0 3.818 2.096 -2.851
63 H12 H H12 N N N 0 2.553 -2.893 -4.332
64 H14 H H14 N N N 0 6.23 7.255 2.188
65 H15 H H15 N N N 0 7.891 7.272 2.259
66 H17 H H17 N N N 0 7.121 4.994 2.182
67 H18 H H18 N N N 0 8.017 5.437 0.709
68 H19 H H19 N N N 0 -0.098 1.278 -0.541
69 H20 H H20 N N N 0 1.114 1.954 0.574
70 H21 H H21 N N N 0 -2.074 2.538 2.241
71 H22 H H22 N N N 0 -0.869 3.274 1.157
72 H23 H H23 N N N 0 -1.857 2.082 -0.776
73 H24 H H24 N N N 0 -4.117 0.933 -1.543
74 H25 H H25 N N N 0 -5.525 2.84 0.337
75 H26 H H26 N N N 0 -3.555 3.842 1.004
76 H27 H H27 N N N 0 -5.057 0.08 2.039
77 H28 H H28 N N N 0 -8.234 -0.409 -3.622
78 H29 H H29 N N N 0 0.805 0.456 2.831
79 H30 H H30 N N N 0 0.418 2.181 3.038
80 H31 H H31 N N N 0 5.401 -6.87 -0.186
81 H32 H H32 N N N 0 2.362 -7.01 3.21
82 H33 H H33 N N N 0 1.57 -5.529 3.187
83 H34 H H34 N N N 0 -9.165 -2.325 1.207
84 H35 H H35 N N N 0 -10.162 -2.598 -0.117
85 H38 H H38 N N N 0 -1.377 0.563 5.787
86 H36 H H36 N N N 0 2.841 -0.942 -5.069
87 H37 H H37 N N N 0 -5.342 4.142 -1.682