Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 7EK

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 80


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N N N 0 -2.503 3.271 0.436
2 C5 C C2 N N N 0 -2.568 1.838 -0.095
3 C6 C C3 N N N 0 -2.752 0.869 1.074
4 C7 C C4 N Y N 0 -2.938 -0.529 0.544
5 C8 C C5 N Y N 0 -1.957 -1.457 0.331
6 C13 C C6 N Y N 0 -6.258 -0.671 -0.817
7 C15 C C7 N Y N 0 -7.888 0.64 0.349
8 C17 C C8 N Y N 0 -5.764 0.203 1.365
9 C21 C C9 N N N 0 -0.092 -3.394 -0.518
10 C22 C C10 N N N 0 0.007 -3.121 -2.02
11 C24 C C11 N N N 0 -0.355 -4.39 -2.794
12 C1 C C12 N N N 0 -2.085 6.568 -1.255
13 O2 O O1 N N N 0 -2.257 5.579 -0.238
14 C3 C C13 N N N 0 -2.318 4.24 -0.734
15 N9 N N1 N Y N 0 -2.527 -2.577 -0.147
16 N10 N N2 N Y N 0 -3.8 -2.405 -0.244
17 N11 N N3 N Y N 0 -4.106 -1.109 0.193
18 C12 C C14 N Y N 0 -5.379 -0.524 0.247
19 C14 C C15 N Y N 0 -7.51 -0.089 -0.763
20 C16 C C16 N Y N 0 -7.015 0.788 1.411
21 C18 C C17 N N N 0 -0.517 -1.262 0.581
22 O19 O O2 N N N 0 -0.125 -0.24 1.111
23 N20 N N4 N N N 0 0.365 -2.217 0.224
24 C23 C C18 N N N 0 -0.961 -1.999 -2.399
25 C25 C C19 S N N 0 1.78 -2.076 0.577
26 C27 C C20 N N N 0 1.921 -1.995 2.099
27 N28 N N5 N N N 0 3.337 -1.833 2.453
28 C29 C C21 N N N 0 3.883 -0.588 1.899
29 C30 C C22 R N N 0 3.801 -0.627 0.372
30 C31 C C23 N N N 0 2.339 -0.798 -0.052
31 C32 C C24 N N N 0 4.342 0.66 -0.195
32 O33 O O3 N N N 0 3.609 1.614 -0.34
33 N34 N N6 N N N 0 5.642 0.75 -0.54
34 C35 C C25 N N N 0 6.217 2.025 -0.999
35 C36 C C26 N N N 0 7.492 2.297 -0.193
36 O37 O O4 N N N 0 8.347 1.153 -0.263
37 C38 C C27 N N N 0 7.788 -0.031 0.31
38 C39 C C28 N N N 0 6.529 -0.421 -0.465
39 H1 H H1 N N N 0 -3.428 3.507 0.96
40 H2 H H2 N N N 0 -1.661 3.367 1.122
41 H3 H H3 N N N 0 -3.409 1.742 -0.782
42 H4 H H4 N N N 0 -1.642 1.602 -0.62
43 H5 H H5 N N N 0 -1.87 0.9 1.715
44 H6 H H6 N N N 0 -3.631 1.158 1.651
45 H7 H H7 N N N 0 -5.962 -1.237 -1.689
46 H8 H H8 N N N 0 -8.865 1.097 0.387
47 H9 H H9 N N N 0 -5.082 0.319 2.195
48 H10 H H10 N N N 0 -1.128 -3.61 -0.255
49 H11 H H11 N N N 0 0.533 -4.25 -0.262
50 H12 H H12 N N N 0 1.026 -2.822 -2.268
51 H13 H H13 N N N 0 -1.373 -4.689 -2.546
52 H14 H H14 N N N 0 -0.284 -4.196 -3.864
53 H15 H H15 N N N 0 0.335 -5.19 -2.524
54 H16 H H16 N N N 0 -1.155 6.381 -1.791
55 H17 H H17 N N N 0 -2.921 6.521 -1.953
56 H18 H H18 N N N 0 -2.049 7.557 -0.798
57 H19 H H19 N N N 0 -1.392 4.005 -1.258
58 H20 H H20 N N N 0 -3.159 4.145 -1.421
59 H21 H H21 N N N 0 -8.194 -0.203 -1.591
60 H22 H H22 N N N 0 -7.31 1.361 2.277
61 H26 H H26 N N N 0 2.334 -2.938 0.206
62 H23 H H23 N N N 0 -0.941 -1.851 -3.479
63 H24 H H24 N N N 0 -1.97 -2.269 -2.088
64 H25 H H25 N N N 0 -0.661 -1.077 -1.901
65 H27 H H27 N N N 0 1.354 -1.141 2.471
66 H28 H H28 N N N 0 1.536 -2.91 2.549
67 H29 H H29 N N N 0 3.466 -1.872 3.453
68 H31 H H31 N N N 0 3.307 0.259 2.272
69 H32 H H32 N N N 0 4.924 -0.481 2.204
70 H33 H H33 N N N 0 4.389 -1.466 -0.003
71 H34 H H34 N N N 0 2.28 -0.87 -1.138
72 H35 H H35 N N N 0 1.759 0.06 0.289
73 H36 H H36 N N N 0 6.46 1.957 -2.059
74 H37 H H37 N N N 0 5.501 2.83 -0.836
75 H38 H H38 N N N 0 8.008 3.163 -0.609
76 H39 H H39 N N N 0 7.231 2.494 0.847
77 H40 H H40 N N N 0 8.516 -0.84 0.256
78 H41 H H41 N N N 0 7.528 0.156 1.352
79 H42 H H42 N N N 0 6.019 -1.235 0.051
80 H43 H H43 N N N 0 6.804 -0.739 -1.47