Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : J7I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 78


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 2.807 -1.825 -0.225
2 N3 N N2 N Y N 0 6.982 2.438 -0.477
3 C4 C C1 N Y N 0 3.51 -0.672 -0.539
4 C5 C C2 N Y N 0 5.201 0.797 -0.485
5 C6 C C3 N Y N 0 6.523 1.278 -0.024
6 C7 C C4 N Y N 0 8.166 2.901 -0.085
7 C8 C C5 N Y N 0 8.924 2.153 0.812
8 C10 C C6 N Y N 0 4.442 1.493 -1.352
9 C13 C C7 N Y N 0 -0.839 -1.812 -0.748
10 C15 C C8 N Y N 0 -1.976 -0.594 1.106
11 C17 C C9 N Y N 0 -4.358 -0.35 1.146
12 C20 C C10 N N N 0 -6.52 3.651 -2.609
13 C21 C C11 N N N 0 -7.01 1.586 -1.444
14 C22 C C12 N N N 0 -7.462 1.01 -0.098
15 C24 C C13 N N N 0 -5.706 -2.031 -1.818
16 C26 C C14 N Y N 0 -0.93 -2.519 -1.947
17 C28 C C15 N Y N 0 1.453 -2.755 -1.995
18 C1 C C16 N N N 0 3.573 -3.437 3.118
19 C2 C C17 N N N 0 3.039 -2.384 2.145
20 C3 C C18 N N N 0 3.376 -2.798 0.711
21 N2 N N3 N Y N 0 4.676 -0.356 -0.069
22 N4 N N4 N N N 0 8.639 4.113 -0.564
23 C9 C C19 N Y N 0 8.409 0.941 1.266
24 N5 N N5 N N N 0 9.128 0.164 2.16
25 N6 N N6 N Y N 0 7.218 0.54 0.831
26 S1 S S1 N Y N 0 2.96 0.586 -1.641
27 C11 C C20 N Y N 0 1.553 -2.056 -0.797
28 C12 C C21 N Y N 0 0.408 -1.579 -0.175
29 C14 C C22 N Y N 0 -2.068 -1.305 -0.089
30 C16 C C23 N Y N 0 -3.12 -0.122 1.718
31 S2 S S2 N N N 0 -5.814 0.255 1.933
32 O1 O O1 N N N 0 -6.73 -0.831 1.972
33 O2 O O2 N N N 0 -5.383 0.95 3.095
34 N7 N N7 N N N 0 -6.479 1.391 0.928
35 C18 C C24 N N N 0 -6.101 2.809 1.036
36 C19 C C25 N N N 0 -5.703 3.314 -0.355
37 N8 N N8 N N N 0 -6.787 3.031 -1.304
38 C23 C C26 N Y N 0 -4.458 -1.061 -0.042
39 O3 O O3 N N N 0 -5.678 -1.292 -0.595
40 C25 C C27 N Y N 0 -3.315 -1.538 -0.662
41 C27 C C28 N Y N 0 0.214 -2.986 -2.562
42 C29 C C29 N N N 0 2.697 -3.271 -2.669
43 H1 H H1 N N N 0 9.888 2.504 1.148
44 H2 H H2 N N N 0 4.698 2.445 -1.794
45 H3 H H3 N N N 0 -1.011 -0.415 1.556
46 H4 H H4 N N N 0 -5.589 3.257 -3.014
47 H5 H H5 N N N 0 -7.338 3.426 -3.292
48 H6 H H6 N N N 0 -6.435 4.731 -2.487
49 H7 H H7 N N N 0 -6.083 1.104 -1.753
50 H8 H H8 N N N 0 -7.781 1.407 -2.193
51 H9 H H9 N N N 0 -8.439 1.414 0.164
52 H10 H H10 N N N 0 -7.521 -0.077 -0.166
53 H11 H H11 N N N 0 -6.738 -2.144 -2.15
54 H12 H H12 N N N 0 -5.136 -1.498 -2.578
55 H13 H H13 N N N 0 -5.267 -3.016 -1.657
56 H14 H H14 N N N 0 -1.896 -2.701 -2.394
57 H15 H H15 N N N 0 3.112 -4.4 2.9
58 H16 H H16 N N N 0 4.654 -3.518 3.008
59 H17 H H17 N N N 0 3.333 -3.142 4.14
60 H18 H H18 N N N 0 1.957 -2.303 2.255
61 H19 H H19 N N N 0 3.5 -1.421 2.363
62 H20 H H20 N N N 0 2.957 -3.784 0.509
63 H21 H H21 N N N 0 4.458 -2.831 0.587
64 H22 H H22 N N N 0 9.504 4.444 -0.274
65 H23 H H23 N N N 0 8.107 4.629 -1.189
66 H24 H H24 N N N 0 9.997 0.463 2.474
67 H25 H H25 N N N 0 8.764 -0.679 2.473
68 H26 H H26 N N N 0 0.484 -1.029 0.751
69 H27 H H27 N N N 0 -3.048 0.425 2.646
70 H28 H H28 N N N 0 -6.948 3.386 1.407
71 H29 H H29 N N N 0 -5.259 2.912 1.721
72 H30 H H30 N N N 0 -5.526 4.389 -0.314
73 H31 H H31 N N N 0 -4.794 2.807 -0.679
74 H33 H H33 N N N 0 -3.391 -2.089 -1.588
75 H34 H H34 N N N 0 0.142 -3.529 -3.493
76 H35 H H35 N N N 0 2.927 -4.268 -2.293
77 H36 H H36 N N N 0 2.534 -3.318 -3.746
78 H37 H H37 N N N 0 3.53 -2.602 -2.457