Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : P8Q

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 82


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 3.768 2.187 -0.229
2 C5 C C2 N N N 0 2.307 2.09 -0.589
3 C6 C C3 N Y N 0 0.021 2.543 -0.105
4 N1 N N1 N Y N 0 6.952 2.482 -1.756
5 C7 C C4 N Y N 0 -0.329 2.779 -1.429
6 C8 C C5 N Y N 0 -1.658 2.788 -1.8
7 N2 N N2 N N N 0 1.37 2.534 0.271
8 C9 C C6 N Y N 0 -2.646 2.562 -0.85
9 N3 N N3 N N N 0 -3.995 2.572 -1.227
10 CL CL CL1 N N N 0 2.857 -6.323 -1.514
11 C24 C C7 N Y N 0 3.337 -4.679 -1.231
12 C23 C C8 N Y N 0 4.408 -4.406 -0.397
13 C22 C C9 N Y N 0 4.793 -3.102 -0.169
14 C25 C C10 N Y N 0 2.65 -3.644 -1.844
15 C26 C C11 N Y N 0 3.027 -2.336 -1.623
16 C21 C C12 N Y N 0 4.102 -2.056 -0.78
17 C20 C C13 N N N 0 4.511 -0.653 -0.538
18 C27 C C14 N Y N 0 5.074 -0.338 0.79
19 C32 C C15 N Y N 0 6.114 0.54 1.015
20 S S S1 N Y N 0 6.522 0.593 2.671
21 C30 C C16 N Y N 0 5.258 -0.543 3.101
22 C31 C C17 N N N 0 4.968 -1.011 4.503
23 C28 C C18 N Y N 0 4.594 -0.932 2.026
24 C29 C C19 N N N 0 3.444 -1.904 2.077
25 N6 N N4 N Y N 0 6.721 1.306 0.018
26 C2 C C20 N Y N 0 6.074 1.816 -1.063
27 N N N5 N Y N 0 8.104 2.411 -1.182
28 C1 C C21 N Y N 0 8.014 1.696 -0.089
29 C C C22 N N N 0 9.133 1.37 0.866
30 N5 N N6 N N N 0 4.343 0.184 -1.511
31 C3 C C23 S N N 0 4.613 1.617 -1.37
32 O O O1 N N N 0 1.976 1.612 -1.654
33 C19 C C24 N Y N 0 -0.966 2.322 0.845
34 C18 C C25 N Y N 0 -2.296 2.326 0.473
35 H1 H H1 N N N 0 4.034 3.231 -0.067
36 H2 H H2 N N N 0 3.956 1.618 0.681
37 H3 H H3 N N N 0 0.44 2.955 -2.167
38 H4 H H4 N N N 0 -1.93 2.972 -2.829
39 H5 H H5 N N N 0 1.63 2.848 1.152
40 H6 H H6 N N N 0 -4.297 3.162 -1.935
41 H8 H H8 N N N 0 4.943 -5.217 0.076
42 H9 H H9 N N N 0 5.629 -2.89 0.482
43 H10 H H10 N N N 0 1.818 -3.862 -2.497
44 H11 H H11 N N N 0 2.491 -1.53 -2.102
45 H15 H H15 N N N 0 3.828 -2.924 2.052
46 H12 H H12 N N N 0 5.662 -0.535 5.196
47 H13 H H13 N N N 0 3.946 -0.743 4.772
48 H14 H H14 N N N 0 5.085 -2.093 4.557
49 H16 H H16 N N N 0 2.88 -1.751 2.998
50 H17 H H17 N N N 0 2.791 -1.74 1.22
51 H18 H H18 N N N 0 9.615 0.441 0.558
52 H19 H H19 N N N 0 9.864 2.178 0.859
53 H20 H H20 N N N 0 8.73 1.253 1.872
54 H21 H H21 N N N 0 4.363 2.128 -2.3
55 H22 H H22 N N N 0 -0.695 2.143 1.875
56 H23 H H23 N N N 0 -3.064 2.15 1.212
57 C10 C C26 N N N 0 -4.874 1.761 -0.605
58 O1 O O2 N N N 0 -4.483 0.958 0.215
59 C12 C C27 N N N 0 -6.343 1.852 -0.929
60 C11 C C28 N N N 0 -7.114 0.831 -0.091
61 C13 C C29 N N N 0 -8.606 0.924 -0.42
62 C14 C C30 N N N 0 -9.377 -0.098 0.418
63 C15 C C31 N N N 0 -10.869 -0.005 0.089
64 C16 C C32 N N N 0 -11.64 -1.027 0.927
65 C17 C C33 N N N 0 -13.109 -0.935 0.603
66 N4 N N7 N N N 0 -13.988 -1.746 1.225
67 O2 O O3 N N N 0 -13.5 -0.132 -0.217
68 H7 H H7 N N N 0 -6.703 2.855 -0.701
69 H24 H H24 N N N 0 -6.495 1.643 -1.988
70 H25 H H25 N N N 0 -6.754 -0.172 -0.319
71 H26 H H26 N N N 0 -6.962 1.04 0.968
72 H27 H H27 N N N 0 -8.966 1.927 -0.192
73 H28 H H28 N N N 0 -8.758 0.714 -1.479
74 H29 H H29 N N N 0 -9.017 -1.101 0.19
75 H30 H H30 N N N 0 -9.225 0.111 1.477
76 H31 H H31 N N N 0 -11.229 0.998 0.317
77 H32 H H32 N N N 0 -11.021 -0.214 -0.97
78 H33 H H33 N N N 0 -11.28 -2.03 0.699
79 H34 H H34 N N N 0 -11.488 -0.817 1.986
80 H35 H H35 N N N 0 -13.675 -2.388 1.881
81 O3 O O4 N N N 0 -15.368 -1.66 0.92
82 H36 H H36 N N N 0 -15.92 -2.281 1.416