Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4TJ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 138


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 -14.596 3.84 -3.177
2 N3 N N2 N N N 0 -13.938 3.989 -0.927
3 C4 C C1 N Y N 0 -13.613 2.642 -0.909
4 C5 C C2 N Y N 0 -13.788 1.895 -2.066
5 C6 C C3 N N N 0 -14.299 2.525 -3.221
6 C8 C C4 N Y N 0 -13.0 0.614 -0.47
7 C15 C C5 N N N 0 -11.116 -0.261 0.883
8 C17 C C6 N N N 0 -10.594 -1.477 1.651
9 C21 C C7 N N N 0 -7.275 -1.778 3.535
10 C22 C C8 N N N 0 -6.754 -2.995 4.302
11 C24 C C9 N N N 0 -6.034 -5.262 4.009
12 C28 C C10 N N N 0 -3.408 -6.331 0.107
13 O6 O O1 N N N 0 -14.47 1.889 -4.246
14 C1 C C11 N N N 0 -15.127 4.501 -4.372
15 N7 N N3 N Y N 0 -13.391 0.609 -1.76
16 C14 C C12 N N N 0 -12.487 -0.584 0.286
17 C18 C C13 N N N 0 -9.244 -1.159 2.24
18 N20 N N4 N N N 0 -8.588 -2.088 2.963
19 C25 C C14 N N N 0 -5.826 -6.341 2.945
20 O23 O O2 N N N 0 -6.525 -4.071 3.391
21 O26 O O3 N N N 0 -4.795 -5.93 2.045
22 C27 C C15 N N N 0 -4.521 -6.872 1.006
23 O19 O O4 N N N 0 -8.748 -0.066 2.062
24 N9 N N5 N Y N 0 -13.134 1.818 0.026
25 C3 C C16 N N N 0 -13.763 4.8 0.28
26 C2 C C17 N N N 0 -14.418 4.553 -2.051
27 O2 O O5 N N N 0 -14.697 5.736 -2.049
28 H1 H H1 N N N 0 -11.206 0.587 1.563
29 H2 H H2 N N N 0 -10.42 -0.011 0.082
30 H3 H H3 N N N 0 -11.29 -1.727 2.452
31 H4 H H4 N N N 0 -10.504 -2.324 0.971
32 H5 H H5 N N N 0 -7.366 -0.931 4.214
33 H6 H H6 N N N 0 -6.58 -1.529 2.734
34 H7 H H7 N N N 0 -5.82 -2.736 4.802
35 H8 H H8 N N N 0 -7.491 -3.299 5.046
36 H9 H H9 N N N 0 -5.085 -5.051 4.502
37 H10 H H10 N N N 0 -6.756 -5.613 4.746
38 H11 H H11 N N N 0 -3.26 -7.007 -0.735
39 H12 H H12 N N N 0 -3.687 -5.344 -0.263
40 H14 H H14 N N N 0 -16.216 4.438 -4.369
41 H15 H H15 N N N 0 -14.824 5.548 -4.374
42 H19 H H19 N N N 0 -12.396 -1.431 -0.394
43 H16 H H16 N N N 0 -14.738 4.008 -5.263
44 H17 H H17 N N N 0 -13.392 -0.154 -2.359
45 H18 H H18 N N N 0 -13.182 -0.833 1.087
46 H20 H H20 N N N 0 -8.985 -2.961 3.105
47 H21 H H21 N N N 0 -5.537 -7.275 3.426
48 H22 H H22 N N N 0 -6.754 -6.489 2.392
49 H23 H H23 N N N 0 -5.422 -7.031 0.412
50 H24 H H24 N N N 0 -4.205 -7.817 1.447
51 H26 H H26 N N N 0 -12.76 5.228 0.289
52 H27 H H27 N N N 0 -14.501 5.602 0.289
53 H28 H H28 N N N 0 -13.898 4.173 1.162
54 N2 N N6 N N N 0 -2.165 -6.23 0.876
55 C7 C C18 N N N 0 -1.042 -5.773 0.286
56 O1 O O6 N N N 0 -1.061 -5.447 -0.881
57 C9 C C19 N N N 0 0.236 -5.669 1.078
58 C12 C C22 N N N 0 3.761 -4.481 0.084
59 C10 C C20 N N N 0 1.349 -5.128 0.179
60 C11 C C21 N N N 0 2.647 -5.022 0.983
61 C13 C C23 N N N 0 5.058 -4.375 0.888
62 N4 N N7 N N N 0 6.125 -3.857 0.027
63 C16 C C24 N N N 0 6.411 -2.527 -0.123
64 C19 C C25 N Y N 0 6.974 -4.658 -0.733
65 C20 C C26 N N N 0 7.571 -2.436 -1.091
66 C26 C C27 N Y N 0 7.877 -3.875 -1.44
67 C23 C C28 N N N 0 5.778 -1.493 0.477
68 C29 C C29 N N N 0 6.189 -0.172 0.221
69 C30 C C30 N N N 0 5.552 0.871 0.826
70 C31 C C31 N N N 0 5.962 2.187 0.571
71 C32 C C32 N N N 0 5.323 3.231 1.177
72 N5 N N8 N N N 1 5.322 5.617 1.574
73 C33 C C33 N N N 0 7.166 -1.653 -2.341
74 C34 C C34 N N N 0 8.78 -1.783 -0.417
75 C35 C C35 N N N 0 5.801 4.539 1.008
76 C37 C C37 N N N 0 6.971 4.962 0.143
77 C38 C C38 N Y N 0 5.983 6.754 1.229
78 C39 C C39 N Y N 0 7.025 6.459 0.343
79 C40 C C40 N N N 0 8.265 4.305 0.626
80 C41 C C41 N N N 0 6.706 4.622 -1.326
81 H13 H H13 N N N 0 -2.15 -6.491 1.81
82 H25 H H25 N N N 0 0.088 -4.994 1.92
83 H29 H H29 N N N 0 0.515 -6.656 1.448
84 H30 H H30 N N N 0 1.498 -5.804 -0.663
85 H31 H H31 N N N 0 1.07 -4.142 -0.191
86 H32 H H32 N N N 0 2.499 -4.346 1.825
87 H33 H H33 N N N 0 2.927 -6.009 1.353
88 H34 H H34 N N N 0 3.909 -5.157 -0.758
89 H35 H H35 N N N 0 3.481 -3.494 -0.286
90 H36 H H36 N N N 0 4.91 -3.699 1.73
91 H37 H H37 N N N 0 5.338 -5.361 1.258
92 H42 H H42 N N N 0 4.957 -1.681 1.154
93 H43 H H43 N N N 0 7.01 0.016 -0.455
94 H44 H H44 N N N 0 4.731 0.682 1.503
95 H45 H H45 N N N 0 6.782 2.375 -0.105
96 H46 H H46 N N N 0 4.45 3.049 1.786
97 H47 H H47 N N N 0 6.862 -0.646 -2.056
98 H48 H H48 N N N 0 8.012 -1.597 -3.026
99 H49 H H49 N N N 0 6.334 -2.158 -2.832
100 H50 H H50 N N N 0 9.083 -2.38 0.443
101 H51 H H51 N N N 0 9.605 -1.726 -1.128
102 H52 H H52 N N N 0 8.514 -0.779 -0.088
103 H57 H H57 N N N 0 8.172 3.221 0.551
104 H58 H H58 N N N 0 9.097 4.642 0.007
105 H59 H H59 N N N 0 8.448 4.583 1.664
106 H60 H H60 N N N 0 5.797 5.123 -1.656
107 H61 H H61 N N N 0 7.547 4.957 -1.933
108 H62 H H62 N N N 0 6.587 3.544 -1.434
109 C36 C C36 N N N 0 4.18 5.6 2.492
110 C42 C C42 N N N 0 4.644 6.015 3.89
111 C43 C C43 N Y N 0 5.784 8.089 1.612
112 C45 C C45 N Y N 0 7.838 7.451 -0.145
113 C46 C C46 N Y N 0 7.628 8.767 0.236
114 C47 C C47 N Y N 0 6.604 9.078 1.114
115 S1 S S1 N N N 0 8.67 10.042 -0.389
116 O3 O O7 N N N 0 9.972 9.44 -0.629
117 C48 C C48 N Y N 0 8.818 -4.453 -2.263
118 O9 O O12 N N N -1 8.056 10.521 -1.618
119 O4 O O8 N N N 0 8.726 11.077 0.632
120 C44 C C44 N Y N 0 7.033 -6.045 -0.868
121 C51 C C51 N Y N 0 8.87 -5.83 -2.391
122 C52 C C52 N Y N 0 7.977 -6.621 -1.692
123 S2 S S2 N N N 0 8.045 -8.374 -1.855
124 O8 O O9 N N N 0 7.13 -8.755 -3.011
125 O7 O O10 N N N 0 9.367 -8.688 -2.27
126 O5 O O11 N N N 0 7.451 -8.91 -0.681
127 H38 H H38 N N N 0 3.421 6.298 2.139
128 H39 H H39 N N N 0 3.76 4.595 2.531
129 H40 H H40 N N N 0 5.064 7.02 3.85
130 H41 H H41 N N N 0 3.794 6.003 4.573
131 H53 H H53 N N N 0 5.404 5.317 4.242
132 H54 H H54 N N N 0 4.987 8.342 2.296
133 H55 H H55 N N N 0 8.64 7.206 -0.825
134 H56 H H56 N N N 0 6.447 10.104 1.411
135 H66 H H66 N N N 0 6.339 -6.669 -0.325
136 H67 H H67 N N N 0 9.515 -3.833 -2.807
137 H68 H H68 N N N 0 9.607 -6.286 -3.036
138 H69 H H69 N N N 0 7.094 -9.705 -3.188