Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : H0W

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 89


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C2 C C1 N Y N 0 5.484 0.607 2.003
2 C3 C C2 N Y N 0 5.283 -0.619 1.398
3 C41 C C3 N Y N 0 -3.175 -5.344 1.089
4 C43 C C4 N Y N 0 -1.798 -5.266 1.045
5 C45 C C5 N Y N 0 -1.188 -4.02 0.97
6 C48 C C6 N N N 0 -5.552 -2.249 1.452
7 C51 C C7 N N N 0 -6.384 -0.968 1.546
8 C56 C C8 N N N 0 -5.048 -0.033 -0.343
9 C59 C C9 N N N 0 -4.255 -1.341 -0.383
10 C12 C C10 S N N 0 3.886 -1.163 1.243
11 C15 C C11 N Y N 0 4.268 -2.169 -1.028
12 C18 C C12 N Y N 0 2.695 -1.246 -2.194
13 C19 C C13 N Y N 0 2.584 -0.763 -0.898
14 C20 C C14 N Y N 0 1.589 0.194 -0.394
15 C21 C C15 N Y N 0 0.349 -0.106 0.153
16 C24 C C16 N Y N 0 0.522 2.148 0.203
17 C25 C C17 N Y N 0 1.713 1.658 -0.361
18 C26 C C18 N Y N 0 2.715 2.547 -0.757
19 C28 C C19 N Y N 0 2.534 3.891 -0.594
20 C30 C C20 N Y N 0 1.36 4.382 -0.038
21 N14 N N1 N Y N 0 3.595 -1.363 -0.179
22 C4 C C21 N Y N 0 6.363 -1.347 0.935
23 C6 C C22 N Y N 0 7.645 -0.85 1.077
24 C8 C C23 N Y N 0 7.847 0.378 1.682
25 C9 C C24 N Y N 0 6.765 1.106 2.145
26 CL1 CL CL1 N N N 0 9.456 1.004 1.861
27 N17 N N2 N Y N 0 3.737 -2.096 -2.217
28 N22 N N3 N Y N 0 -0.28 1.072 0.509
29 C31 C C25 N Y N 0 0.358 3.522 0.36
30 CL3 CL CL2 N N N 0 1.151 6.094 0.16
31 C34 C C26 N N N 0 -0.204 -1.45 0.322
32 O35 O O1 N N N 0 0.44 -2.422 -0.031
33 N36 N N4 N N N 0 -1.426 -1.613 0.867
34 C38 C C27 N Y N 0 -1.994 -2.89 0.943
35 C39 C C28 N Y N 0 -3.382 -3.047 0.991
36 N40 N N5 N Y N 0 -3.919 -4.254 1.061
37 N47 N N6 N N N 0 -4.206 -1.925 0.964
38 C54 C C29 N N N 0 -6.465 -0.316 0.163
39 N62 N N7 N N N 0 -7.211 0.942 0.258
40 C63 C C30 N N N 0 -8.433 1.089 -0.528
41 C66 C C31 N N N 0 -9.295 2.214 0.052
42 C69 C C32 N N N 0 -8.399 3.438 0.285
43 O72 O O2 N N N 0 -7.375 3.072 1.251
44 C73 C C33 N N N 0 -6.746 1.901 1.065
45 O74 O O3 N N N 0 -5.698 1.707 1.65
46 C75 C C34 N Y N 0 1.828 -0.89 -3.34
47 C76 C C35 N Y N 0 2.368 -0.797 -4.624
48 C78 C C36 N Y N 0 1.555 -0.465 -5.688
49 C80 C C37 N Y N 0 0.207 -0.224 -5.484
50 C82 C C38 N Y N 0 -0.333 -0.314 -4.214
51 C84 C C39 N Y N 0 0.468 -0.651 -3.142
52 C86 C C40 N N N 0 3.774 -2.499 1.979
53 H1 H H1 N N N 0 4.64 1.178 2.361
54 H2 H H2 N N N 0 -3.651 -6.312 1.143
55 H3 H H3 N N N 0 -1.199 -6.165 1.069
56 H4 H H4 N N N 0 -0.112 -3.933 0.936
57 H5 H H5 N N N 0 -5.48 -2.708 2.438
58 H6 H H6 N N N 0 -6.032 -2.944 0.762
59 H7 H H7 N N N 0 -7.388 -1.211 1.894
60 H8 H H8 N N N 0 -5.912 -0.278 2.246
61 H9 H H9 N N N 0 -4.556 0.671 0.327
62 H10 H H10 N N N 0 -5.098 0.393 -1.346
63 H11 H H11 N N N 0 -4.741 -2.04 -1.064
64 H12 H H12 N N N 0 -3.241 -1.141 -0.729
65 H13 H H13 N N N 0 3.172 -0.455 1.663
66 H14 H H14 N N N 0 5.12 -2.779 -0.763
67 H15 H H15 N N N 0 3.63 2.172 -1.19
68 H16 H H16 N N N 0 3.31 4.577 -0.901
69 H17 H H17 N N N 0 6.206 -2.306 0.463
70 H18 H H18 N N N 0 8.488 -1.419 0.715
71 H19 H H19 N N N 0 6.922 2.065 2.618
72 H20 H H20 N N N 0 -1.16 1.132 0.913
73 H21 H H21 N N N 0 -0.551 3.913 0.792
74 H22 H H22 N N N 0 -1.911 -0.845 1.207
75 H23 H H23 N N N 0 -6.973 -0.989 -0.528
76 H24 H H24 N N N 0 -8.174 1.327 -1.56
77 H25 H H25 N N N 0 -8.995 0.155 -0.503
78 H26 H H26 N N N 0 -10.088 2.468 -0.651
79 H27 H H27 N N N 0 -9.73 1.892 0.998
80 H28 H H28 N N N 0 -7.93 3.735 -0.654
81 H29 H H29 N N N 0 -8.995 4.262 0.675
82 H30 H H30 N N N 0 3.419 -0.984 -4.784
83 H31 H H31 N N N 0 1.971 -0.393 -6.682
84 H32 H H32 N N N 0 -0.425 0.037 -6.32
85 H33 H H33 N N N 0 -1.386 -0.129 -4.062
86 H34 H H34 N N N 0 0.045 -0.721 -2.151
87 H35 H H35 N N N 0 4.488 -3.207 1.558
88 H36 H H36 N N N 0 3.99 -2.35 3.037
89 H37 H H37 N N N 0 2.763 -2.892 1.867