Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 6NC

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 121


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 14.767 -3.298 1.869
2 C13 C C2 N Y N 0 15.142 -0.693 0.969
3 C17 C C3 N Y N 0 12.492 -0.501 -1.093
4 C20 C C4 N Y N 0 11.557 -0.118 -3.16
5 C22 C C5 N Y N 0 13.282 -1.048 -2.062
6 C24 C C6 N Y N 0 9.334 1.268 -2.348
7 C28 C C7 N Y N 0 7.229 2.464 -2.945
8 C01 C C8 N N N 0 19.667 -3.83 -2.145
9 C02 C C9 N N N 0 19.834 -3.283 -0.726
10 C03 C C10 N N N 0 18.633 -2.402 -0.374
11 S04 S S1 N N N 0 18.832 -1.753 1.308
12 N05 N N1 N N N 0 17.48 -0.829 1.557
13 O06 O O1 N N N 0 18.721 -2.8 2.263
14 O07 O O2 N N N 0 19.906 -0.824 1.361
15 C08 C C11 N Y N 0 16.21 -1.414 1.486
16 C09 C C12 N Y N 0 16.019 -2.714 1.934
17 C11 C C13 N Y N 0 13.695 -2.592 1.357
18 C12 C C14 N Y N 0 13.875 -1.281 0.903
19 F14 F F1 N N N 0 15.326 0.573 0.534
20 F15 F F2 N N N 0 12.474 -3.167 1.295
21 C16 C C15 N N N 0 12.734 -0.522 0.356
22 O18 O O3 N N N 0 11.992 0.086 1.105
23 C19 C C16 N Y N 0 11.352 0.12 -1.79
24 N21 N N2 N Y N 0 12.733 -0.825 -3.281
25 C23 C C17 N Y N 0 10.226 0.823 -1.372
26 C25 C C18 N Y N 0 9.604 0.994 -3.69
27 N26 N N3 N Y N 0 10.68 0.33 -4.05
28 C27 C C19 N Y N 0 8.115 2.023 -1.965
29 C29 C C20 N Y N 0 6.096 3.165 -2.583
30 C30 C C21 N Y N 0 5.837 3.425 -1.249
31 C31 C C22 N Y N 0 6.71 2.983 -0.271
32 C32 C C23 N Y N 0 7.852 2.292 -0.623
33 C33 C C24 N N N 0 4.599 4.191 -0.86
34 N34 N N4 N N N 0 3.494 3.254 -0.64
35 C35 C C25 N N N 0 2.28 3.716 -0.281
36 C36 C C26 N N N 0 1.144 2.753 -0.054
37 O37 O O4 N N N 0 -0.03 3.479 0.315
38 C38 C C27 N N N 0 -1.173 2.655 0.554
39 C39 C C28 N N N 0 -2.346 3.52 0.934
40 N40 N N5 N N N 0 -3.539 2.956 1.207
41 C41 C C29 N N N 0 -4.68 3.798 1.576
42 C42 C C30 N N N 0 -20.211 -2.862 1.59
43 C43 C C31 N N N 0 -20.175 -2.301 0.168
44 C44 C C32 N N N 0 -18.805 -1.673 -0.099
45 S45 S S2 N N N 0 -18.762 -1.008 -1.786
46 N46 N N6 N N N 0 -17.243 -0.367 -1.939
47 O47 O O5 N N N 0 -18.796 -2.062 -2.738
48 O48 O O6 N N N 0 -19.628 0.112 -1.902
49 C49 C C33 N Y N 0 -16.118 -1.189 -1.791
50 C50 C C34 N Y N 0 -16.156 -2.503 -2.237
51 C51 C C35 N Y N 0 -15.047 -3.319 -2.1
52 C52 C C36 N Y N 0 -13.893 -2.832 -1.516
53 C53 C C37 N Y N 0 -13.844 -1.509 -1.062
54 C54 C C38 N Y N 0 -14.965 -0.687 -1.202
55 F55 F F3 N N N 0 -14.926 0.593 -0.772
56 F56 F F4 N N N 0 -12.813 -3.633 -1.384
57 C57 C C39 N N N 0 -12.613 -0.985 -0.439
58 C58 C C40 N Y N 0 -12.371 -1.191 0.995
59 O59 O O7 N N N 0 -11.799 -0.381 -1.113
60 C60 C C41 N Y N 0 -11.254 -0.648 1.789
61 C61 C C42 N Y N 0 -11.448 -1.115 3.102
62 N62 N N7 N Y N 0 -12.594 -1.88 3.099
63 C63 C C43 N Y N 0 -13.138 -1.919 1.858
64 C64 C C44 N Y N 0 -10.159 0.159 1.499
65 C65 C C45 N Y N 0 -9.285 0.475 2.539
66 C66 C C46 N Y N 0 -9.542 -0.025 3.817
67 N67 N N8 N Y N 0 -10.588 -0.785 4.057
68 C68 C C47 N Y N 0 -8.099 1.332 2.291
69 C69 C C48 N Y N 0 -7.231 1.643 3.336
70 C70 C C49 N Y N 0 -6.129 2.44 3.099
71 C71 C C50 N Y N 0 -5.885 2.928 1.828
72 C72 C C51 N Y N 0 -6.743 2.622 0.788
73 C73 C C52 N Y N 0 -7.846 1.822 1.012
74 O74 O O8 N N N 0 2.102 4.908 -0.14
75 O75 O O9 N N N 0 -2.217 4.725 0.994
76 H101 H H1 N N N 0 14.627 -4.312 2.215
77 H221 H H2 N N N 0 14.207 -1.578 -1.885
78 H281 H H3 N N N 0 7.43 2.263 -3.987
79 H012 H H4 N N N 0 18.753 -4.423 -2.2
80 H011 H H5 N N N 0 19.605 -3.001 -2.849
81 H013 H H6 N N N 0 20.522 -4.458 -2.395
82 H021 H H7 N N N 0 19.895 -4.112 -0.021
83 H022 H H8 N N N 0 20.747 -2.691 -0.67
84 H032 H H9 N N N 0 18.572 -1.573 -1.079
85 H031 H H10 N N N 0 17.72 -2.994 -0.43
86 H051 H H11 N N N 0 17.569 0.117 1.751
87 H091 H H12 N N N 0 16.852 -3.273 2.335
88 H1 H H13 N N N 0 13.114 -1.123 -4.121
89 H231 H H14 N N N 0 10.048 1.018 -0.325
90 H251 H H15 N N N 0 8.916 1.337 -4.449
91 H291 H H16 N N N 0 5.411 3.512 -3.342
92 H311 H H17 N N N 0 6.504 3.189 0.768
93 H321 H H18 N N N 0 8.535 1.952 0.141
94 H332 H H19 N N N 0 4.79 4.749 0.057
95 H331 H H20 N N N 0 4.334 4.883 -1.659
96 H341 H H21 N N N 0 3.637 2.301 -0.752
97 H361 H H22 N N N 0 0.953 2.194 -0.971
98 H362 H H23 N N N 0 1.409 2.06 0.744
99 H382 H H24 N N N 0 -1.412 2.094 -0.35
100 H381 H H25 N N N 0 -0.956 1.96 1.365
101 H401 H H26 N N N 0 -3.643 1.993 1.158
102 H411 H H27 N N N 0 -4.441 4.358 2.48
103 H412 H H28 N N N 0 -4.897 4.492 0.765
104 H421 H H29 N N N 0 -19.437 -3.621 1.702
105 H423 H H30 N N N 0 -20.036 -2.056 2.303
106 H422 H H31 N N N 0 -21.187 -3.309 1.78
107 H431 H H32 N N N 0 -20.351 -3.106 -0.545
108 H432 H H33 N N N 0 -20.95 -1.542 0.056
109 H442 H H34 N N N 0 -18.63 -0.868 0.614
110 H441 H H35 N N N 0 -18.03 -2.432 0.013
111 H461 H H36 N N N 0 -17.132 0.577 -2.131
112 H501 H H37 N N N 0 -17.055 -2.89 -2.694
113 H511 H H38 N N N 0 -15.084 -4.34 -2.449
114 H2 H H39 N N N 0 -12.963 -2.324 3.878
115 H631 H H40 N N N 0 -14.038 -2.452 1.591
116 H641 H H41 N N N 0 -9.99 0.528 0.498
117 H661 H H42 N N N 0 -8.868 0.218 4.626
118 H691 H H43 N N N 0 -7.42 1.263 4.328
119 H701 H H44 N N N 0 -5.455 2.682 3.908
120 H721 H H45 N N N 0 -6.548 3.006 -0.203
121 H731 H H46 N N N 0 -8.513 1.58 0.198