Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : Z1B

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 105


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C C C1 R N N 0 -0.331 -1.072 1.026
2 C1 C C2 N N N 0 -1.383 0.065 0.986
3 N N N1 N N N 0 -0.594 1.31 1.025
4 C2 C C3 S N N 0 0.706 1.025 1.649
5 C3 C C4 N N N 0 0.732 -0.48 1.989
6 C5 C C6 S N N 0 4.184 1.482 0.116
7 C4 C C5 N N N 0 1.819 1.351 0.686
8 O O O1 N N N 0 1.559 1.781 -0.418
9 N1 N N2 N N N 0 3.103 1.165 1.052
10 C6 C C7 N N N 0 4.525 2.97 0.215
11 C7 C C8 N N N 0 3.328 3.8 -0.254
12 F F F1 N N N 0 2.255 3.607 0.623
13 F1 F F2 N N N 0 3.678 5.155 -0.271
14 C8 C C9 N N N 0 5.402 0.664 0.46
15 O1 O O2 N N N 0 5.37 -0.108 1.395
16 N2 N N3 N N N 0 6.527 0.79 -0.271
17 S S S1 N N N 0 7.865 -0.109 0.107
18 O2 O O3 N N N 0 8.842 0.299 -0.842
19 O3 O O4 N N N 0 8.056 0.114 1.497
20 C9 C C10 N N N 0 7.36 -1.824 -0.199
21 C10 C C11 N N N 0 8.394 -2.922 0.059
22 C11 C C12 N N N 0 8.01 -2.553 -1.376
23 C12 C C13 N N N 0 -0.998 2.51 0.565
24 C13 C C14 S N N 0 -2.396 2.679 0.026
25 N3 N N4 N N N 0 -2.923 3.983 0.437
26 C14 C C15 N N N 0 -4.254 4.173 0.53
27 O4 O O5 N N N 0 -4.739 5.371 0.908
28 C15 C C16 N N N 0 -6.182 5.503 0.987
29 C16 C C17 N N N 0 -6.731 4.499 2.003
30 C17 C C18 N N N 0 -6.541 6.923 1.428
31 C18 C C19 N N N 0 -6.796 5.225 -0.387
32 O5 O O6 N N N 0 -5.017 3.262 0.275
33 C19 C C20 N N N 0 -2.367 2.599 -1.501
34 C20 C C21 N N N 0 -1.686 1.298 -1.931
35 C21 C C22 N N N 0 -3.799 2.626 -2.04
36 C22 C C23 N N N 0 -1.588 3.791 -2.06
37 O6 O O7 N N N 0 -0.238 3.455 0.584
38 O7 O O8 N N N 0 -0.894 -2.272 1.56
39 C23 C C24 N Y N 0 -1.545 -3.086 0.692
40 C24 C C25 N Y N 0 -2.196 -4.257 1.143
41 C25 C C26 N Y N 0 -2.189 -4.614 2.499
42 C26 C C27 N Y N 0 -2.824 -5.747 2.905
43 C27 C C28 N Y N 0 -3.487 -6.565 1.985
44 C28 C C29 N Y N 0 -3.512 -6.243 0.647
45 C29 C C30 N Y N 0 -2.864 -5.079 0.201
46 N4 N N5 N Y N 0 -2.874 -4.743 -1.093
47 C30 C C31 N Y N 0 -2.27 -3.652 -1.528
48 C31 C C32 N Y N 0 -1.595 -2.791 -0.656
49 C32 C C33 N Y N 0 -2.314 -3.329 -2.975
50 C33 C C34 N Y N 0 -2.985 -4.172 -3.86
51 C34 C C35 N Y N 0 -3.022 -3.867 -5.206
52 C35 C C36 N Y N 0 -2.394 -2.727 -5.676
53 C36 C C37 N Y N 0 -1.726 -1.888 -4.803
54 C37 C C38 N Y N 0 -1.688 -2.18 -3.455
55 O8 O O9 N N N 0 -4.112 -7.691 2.416
56 C38 C C39 N N N 0 -4.051 -7.972 3.816
57 H1 H H1 N N N 0 0.092 -1.247 0.037
58 H2 H H2 N N N 0 -1.964 0.012 0.065
59 H3 H H3 N N N 0 -2.041 0.004 1.853
60 H4 H H4 N N N 0 0.817 1.613 2.56
61 H5 H H5 N N N 0 0.445 -0.646 3.028
62 H6 H H6 N N N 0 1.715 -0.905 1.787
63 H7 H H7 N N N 0 3.31 0.822 1.935
64 H8 H H8 N N N 0 3.865 1.249 -0.9
65 H9 H H9 N N N 0 4.758 3.221 1.25
66 H10 H H10 N N N 0 5.387 3.189 -0.415
67 H11 H H11 N N N 0 3.039 3.486 -1.257
68 H12 H H12 N N N 0 6.553 1.407 -1.019
69 H13 H H13 N N N 0 6.317 -2.053 0.021
70 H14 H H14 N N N 0 9.378 -2.614 0.412
71 H15 H H15 N N N 0 8.031 -3.874 0.449
72 H21 H H21 N N N 0 -7.815 4.598 2.063
73 H16 H H16 N N N 0 7.396 -3.262 -1.931
74 H17 H H17 N N N 0 8.742 -2.003 -1.967
75 H18 H H18 N N N 0 -3.035 1.889 0.42
76 H19 H H19 N N N 0 -2.314 4.71 0.641
77 H20 H H20 N N N 0 -6.294 4.697 2.982
78 H22 H H22 N N N 0 -6.476 3.487 1.689
79 H23 H H23 N N N 0 -6.15 7.638 0.704
80 H24 H H24 N N N 0 -7.625 7.022 1.488
81 H25 H H25 N N N 0 -6.104 7.121 2.407
82 H26 H H26 N N N 0 -6.541 4.213 -0.701
83 H27 H H27 N N N 0 -7.88 5.324 -0.327
84 H28 H H28 N N N 0 -6.405 5.94 -1.111
85 H29 H H29 N N N 0 -2.286 0.448 -1.605
86 H30 H H30 N N N 0 -1.589 1.279 -3.016
87 H31 H H31 N N N 0 -0.697 1.239 -1.476
88 H32 H H32 N N N 0 -4.354 1.777 -1.642
89 H33 H H33 N N N 0 -4.284 3.553 -1.735
90 H34 H H34 N N N 0 -3.778 2.569 -3.129
91 H35 H H35 N N N 0 -1.568 3.734 -3.149
92 H36 H H36 N N N 0 -2.074 4.718 -1.755
93 H37 H H37 N N N 0 -0.568 3.771 -1.676
94 H38 H H38 N N N 0 -1.681 -3.991 3.22
95 H39 H H39 N N N 0 -2.816 -6.017 3.951
96 H40 H H40 N N N 0 -4.026 -6.882 -0.055
97 H41 H H41 N N N 0 -1.113 -1.902 -1.036
98 H42 H H42 N N N 0 -3.475 -5.062 -3.494
99 H43 H H43 N N N 0 -3.541 -4.519 -5.892
100 H44 H H44 N N N 0 -2.425 -2.492 -6.73
101 H45 H H45 N N N 0 -1.237 -1.0 -5.176
102 H46 H H46 N N N 0 -1.171 -1.521 -2.773
103 H47 H H47 N N N 0 -3.009 -8.081 4.119
104 H48 H H48 N N N 0 -4.507 -7.152 4.372
105 H49 H H49 N N N 0 -4.589 -8.896 4.025