Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1E9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 103


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 6.333 2.772 -0.021
2 C2 C C2 R N N 0 7.154 1.535 0.351
3 C3 C C3 N N N 0 4.954 2.684 0.635
4 C4 C C4 N N N 0 8.574 1.681 -0.201
5 S1 S S1 N N N 0 9.547 0.215 0.24
6 C5 C C5 N Y N 0 11.124 0.559 -0.467
7 N1 N N1 N N N 0 4.165 3.871 0.278
8 C6 C C6 N N N 0 3.868 3.892 -1.161
9 C7 C C7 N N N 0 2.931 3.942 1.071
10 C8 C C8 N Y N 0 12.161 -0.357 -0.336
11 C9 C C9 N Y N 0 13.395 -0.084 -0.891
12 C10 C C10 N Y N 0 13.6 1.098 -1.579
13 C11 C C11 N Y N 0 12.57 2.012 -1.711
14 C12 C C12 N Y N 0 11.332 1.743 -1.164
15 N2 N N2 N N N 0 6.527 0.342 -0.223
16 C13 C C13 N Y N 0 4.163 -0.569 2.439
17 C14 C C14 N Y N 0 3.45 -1.58 1.82
18 C15 C C15 N Y N 0 3.757 -1.954 0.525
19 C16 C C16 N Y N 0 4.777 -1.319 -0.156
20 C17 C C17 N Y N 0 5.495 -0.303 0.463
21 C18 C C18 N Y N 0 5.184 0.071 1.764
22 S2 S S2 N N N 0 2.148 -2.394 2.685
23 O1 O O1 N N N 0 1.995 -3.667 2.074
24 O2 O O2 N N N 0 2.419 -2.224 4.07
25 C19 C C19 N Y N 0 -10.971 3.356 1.887
26 C20 C C20 N Y N 0 -10.874 2.037 1.493
27 C21 C C21 N Y N 0 -10.043 1.689 0.431
28 C22 C C22 N Y N 0 -9.313 2.676 -0.229
29 C23 C C23 N Y N 0 -9.417 3.992 0.174
30 C24 C C24 N Y N 0 -10.249 4.333 1.225
31 C25 C C25 N Y N 0 -9.934 0.272 0.003
32 C26 C C26 N Y N 0 -9.557 -0.708 0.919
33 C27 C C27 N Y N 0 -9.458 -2.024 0.517
34 C28 C C28 N Y N 0 -9.731 -2.372 -0.795
35 C29 C C29 N Y N 0 -10.105 -1.402 -1.709
36 C30 C C30 N Y N 0 -10.214 -0.084 -1.315
37 C31 C C31 N N N 0 -8.411 2.307 -1.378
38 N3 N N3 N N N 0 -7.21 1.637 -0.863
39 C32 C C32 N N N 0 -6.322 2.594 -0.188
40 C33 C C33 N N N 0 -5.124 1.846 0.402
41 N4 N N4 N N N 0 -4.413 1.139 -0.673
42 C34 C C34 N N N 0 -5.301 0.182 -1.347
43 C35 C C35 N N N 0 -6.499 0.93 -1.937
44 C36 C C36 N Y N 0 -3.274 0.504 -0.184
45 C37 C C37 N Y N 0 -2.449 -0.222 -1.044
46 C38 C C38 N Y N 0 -1.824 -0.029 1.659
47 C39 C C39 N Y N 0 -2.945 0.592 1.165
48 C40 C C40 N Y N 0 -0.986 -0.768 0.807
49 C41 C C41 N Y N 0 -1.338 -0.836 -0.55
50 S3 S S3 N N N 0 -0.048 -1.828 -1.25
51 N5 N N5 N N N 0 0.859 -2.116 0.125
52 C42 C C42 N N N 0 0.25 -1.508 1.093
53 N6 N N6 N N N 0 0.755 -1.555 2.375
54 O3 O O3 N N N 0 -0.625 -3.063 -1.651
55 O4 O O4 N N N 0 0.721 -0.992 -2.104
56 CL1 CL CL1 N N N 0 -9.604 -4.029 -1.295
57 N7 N N7 N N N 1 5.105 -1.72 -1.542
58 O5 O O5 N N N 0 5.062 -2.894 -1.863
59 O6 O O6 N N N -1 5.418 -0.876 -2.362
60 H1 H H1 N N N 0 6.846 3.667 0.329
61 H2 H H2 N N N 0 6.218 2.819 -1.104
62 H3 H H3 N N N 0 7.194 1.439 1.436
63 H4 H H4 N N N 0 4.441 1.788 0.284
64 H5 H H5 N N N 0 5.069 2.637 1.718
65 H6 H H6 N N N 0 8.534 1.777 -1.286
66 H7 H H7 N N N 0 9.04 2.569 0.226
67 H9 H H9 N N N 0 3.299 3.001 -1.427
68 H10 H H10 N N N 0 3.283 4.781 -1.398
69 H11 H H11 N N N 0 4.8 3.909 -1.725
70 H12 H H12 N N N 0 3.184 3.996 2.131
71 H13 H H13 N N N 0 2.367 4.83 0.787
72 H14 H H14 N N N 0 2.328 3.053 0.886
73 H15 H H15 N N N 0 12.002 -1.281 0.201
74 H16 H H16 N N N 0 14.202 -0.795 -0.789
75 H17 H H17 N N N 0 14.566 1.309 -2.012
76 H18 H H18 N N N 0 12.733 2.932 -2.253
77 H19 H H19 N N N 0 10.528 2.457 -1.268
78 H20 H H20 N N N 0 6.829 -0.001 -1.079
79 H21 H H21 N N N 0 3.918 -0.276 3.449
80 H22 H H22 N N N 0 3.199 -2.744 0.045
81 H23 H H23 N N N 0 5.741 0.86 2.247
82 H24 H H24 N N N 0 -11.615 3.627 2.71
83 H25 H H25 N N N 0 -11.442 1.276 2.008
84 H26 H H26 N N N 0 -8.856 4.759 -0.339
85 H27 H H27 N N N 0 -10.327 5.364 1.537
86 H28 H H28 N N N 0 -9.344 -0.437 1.943
87 H29 H H29 N N N 0 -9.166 -2.784 1.227
88 H30 H H30 N N N 0 -10.317 -1.678 -2.732
89 H31 H H31 N N N 0 -10.511 0.671 -2.028
90 H32 H H32 N N N 0 -8.94 1.635 -2.054
91 H33 H H33 N N N 0 -8.121 3.209 -1.917
92 H35 H H35 N N N 0 -5.97 3.333 -0.908
93 H36 H H36 N N N 0 -6.867 3.096 0.611
94 H37 H H37 N N N 0 -4.449 2.557 0.878
95 H38 H H38 N N N 0 -5.474 1.126 1.142
96 H39 H H39 N N N 0 -4.756 -0.319 -2.147
97 H40 H H40 N N N 0 -5.653 -0.557 -0.627
98 H41 H H41 N N N 0 -7.174 0.219 -2.413
99 H42 H H42 N N N 0 -6.149 1.651 -2.677
100 H43 H H43 N N N 0 -2.689 -0.296 -2.094
101 H44 H H44 N N N 0 -1.584 0.051 2.709
102 H45 H H45 N N N 0 -3.58 1.156 1.833
103 H46 H H46 N N N 0 0.293 -1.097 3.095