Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ZIT

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 124


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 1.922 -1.06 2.146
2 C11 C C11 R N N 0 -1.511 1.77 4.486
3 C12 C C12 R N N 0 -0.334 1.088 3.833
4 C13 C C13 S N N 0 0.947 1.288 4.655
5 C14 C C14 R N N 0 2.083 0.42 4.081
6 C15 C C15 N N N 0 2.953 -0.114 5.23
7 C16 C C16 N N N 0 4.099 -0.95 4.656
8 C17 C C17 N N N 0 2.342 -3.339 1.248
9 C18 C C18 N N N 0 -0.506 -3.206 -1.542
10 C19 C C19 N N N 0 -1.996 -1.807 2.174
11 C1A C C1A S N N 0 -1.896 -0.456 -2.33
12 C1B C C1B R N N 0 2.29 -0.869 -1.276
13 C2 C C2 R N N 0 1.29 -2.256 1.465
14 C20 C C20 N N N 0 -4.842 -0.83 3.006
15 C21 C C21 N N N 0 -2.592 -0.208 4.893
16 C22 C C22 N N N 0 -1.597 3.232 4.01
17 C23 C C23 N N N 0 0.779 0.916 6.127
18 C2A C C2A R N N 0 -2.491 -0.561 -3.736
19 C2B C C2B N N N 0 3.534 -1.177 -2.11
20 C3 C C3 S N N 0 0.72 -1.813 0.121
21 C3A C C3A S N N 0 -1.951 0.588 -4.593
22 C3B C C3B R N N 0 4.236 0.121 -2.501
23 C4 C C4 S N N 0 -0.604 -2.501 -0.175
24 C4A C C4A N N N 0 -2.225 1.91 -3.867
25 C4B C C4B S N N 0 3.25 1.134 -3.066
26 C5 C C5 R N N 0 -1.709 -1.445 -0.269
27 C5A C C5A R N N 0 -1.651 1.829 -2.45
28 C5B C C5B S N N 0 1.912 1.173 -2.352
29 C6 C C6 R N N 0 -2.736 -1.601 0.859
30 C6A C C6A N N N 0 -1.891 3.157 -1.729
31 C6B C C6B N N N 0 1.963 2.075 -1.119
32 C7 C C7 N N N 0 -3.664 -0.392 0.816
33 C7A C C7A N N N 0 -4.016 1.005 -5.652
34 C7B C C7B N N N 0 4.988 0.699 -1.299
35 C8 C C8 R N N 0 -4.069 0.183 2.174
36 C8A C C8A N N N 0 -2.005 1.662 -6.691
37 C8B C C8B N N N 0 5.931 1.021 -3.777
38 C9 C C9 N N N 0 -2.873 0.866 2.785
39 H11 H H11 N N N 0 -1.419 1.789 5.58
40 H12 H H12 N N N 0 -0.478 0.031 3.622
41 H14 H H14 N N N 0 2.705 1.036 3.435
42 H151 H 1H15 N N N 0 2.345 -0.735 5.888
43 H152 H 2H15 N N N 0 3.362 0.722 5.796
44 H161 H 1H16 N N N 0 4.716 -1.329 5.471
45 H162 H 2H16 N N N 0 3.69 -1.787 4.09
46 H163 H 3H16 N N N 0 4.707 -0.329 3.998
47 H171 H 1H17 N N N 0 2.752 -3.646 2.21
48 H172 H 2H17 N N N 0 1.884 -4.198 0.757
49 H173 H 3H17 N N N 0 3.143 -2.947 0.621
50 H181 H 1H18 N N N 0 0.263 -3.976 -1.499
51 H182 H 2H18 N N N 0 -1.465 -3.663 -1.785
52 H183 H 3H18 N N N 0 -0.247 -2.476 -2.309
53 H191 H 1H19 N N N 0 -1.235 -1.035 2.289
54 H192 H 2H19 N N N 0 -2.702 -1.747 3.002
55 H193 H 3H19 N N N 0 -1.52 -2.788 2.173
56 H1A1 H 1H1A N N N 0 -0.808 -0.498 -2.392
57 H1B1 H 1H1B N N N 0 2.572 -0.359 -0.359
58 H2 H H2 N N N 0 0.496 -2.638 2.108
59 H201 H 1H20 N N N 0 -5.063 -0.403 3.985
60 H202 H 2H20 N N N 0 -5.774 -1.08 2.5
61 H203 H 3H20 N N N 0 -4.242 -1.732 3.13
62 H211 H 1H21 N N N 0 -1.713 -0.665 4.439
63 H212 H 2H21 N N N 0 -2.419 -0.067 5.96
64 H213 H 3H21 N N N 0 -3.456 -0.856 4.747
65 H221 H 1H22 N N N 0 -2.371 3.752 4.574
66 H222 H 2H22 N N N 0 -0.638 3.724 4.171
67 H223 H 3H22 N N N 0 -1.844 3.254 2.948
68 H231 H 1H23 N N N 0 1.721 1.079 6.652
69 H232 H 2H23 N N N 0 0.0020 1.537 6.573
70 H233 H 3H23 N N N 0 0.496 -0.133 6.207
71 H2A1 H 1H2A N N N 0 -3.577 -0.495 -3.679
72 H2B1 H 1H2B N N N 0 4.216 -1.8 -1.526
73 H2B2 H 2H2B N N N 0 3.242 -1.722 -3.01
74 H3 H H3 N N N 0 0.551 -0.72 0.136
75 H3A1 H 1H3A N N N 0 -0.878 0.466 -4.738
76 H4 H H4 N N N 0 -0.82 -3.256 0.575
77 H4A1 H 1H4A N N N 0 -3.3 2.082 -3.815
78 H4A2 H 2H4A N N N 0 -1.749 2.729 -4.407
79 H4B1 H 1H4B N N N 0 3.708 2.136 -3.008
80 H5 H H5 N N N 0 -1.249 -0.455 -0.18
81 H5A1 H 1H5A N N N 0 -0.58 1.634 -2.504
82 H5B1 H 1H5B N N N 0 1.189 1.653 -3.054
83 H6A1 H 1C6A N N N 0 -1.478 3.102 -0.722
84 H6A2 H 2C6A N N N 0 -1.404 3.962 -2.279
85 H6A3 H 3C6A N N N 0 -2.962 3.351 -1.673
86 H6B1 H 1C6B N N N 0 0.988 2.08 -0.631
87 H6B2 H 2C6B N N N 0 2.715 1.7 -0.425
88 H6B3 H 3C6B N N N 0 2.222 3.09 -1.422
89 H71 H 1H7 N N N 0 -3.132 0.422 0.288
90 H72 H 2H7 N N N 0 -4.552 -0.627 0.209
91 H7A1 H 1H7A N N N 0 -4.6 0.875 -6.563
92 H7A2 H 2H7A N N N 0 -4.441 0.391 -4.858
93 H7A3 H 3H7A N N N 0 -4.037 2.052 -5.353
94 H7B1 H 1H7B N N N 0 5.824 0.047 -1.046
95 H7B2 H 2H7B N N N 0 5.364 1.691 -1.549
96 H7B3 H 3H7B N N N 0 4.311 0.77 -0.448
97 H8 H H8 N N N 0 -4.834 0.98 1.934
98 H8A1 H 1H8A N N N 0 -2.466 1.697 -7.678
99 H8A2 H 2H8A N N N 0 -2.149 2.619 -6.188
100 H8A3 H 3H8A N N N 0 -0.938 1.464 -6.795
101 H8B1 H 1H8B N N N 0 6.606 0.868 -4.619
102 H8B2 H 2H8B N N N 0 5.231 1.822 -4.014
103 H8B3 H 3H8B N N N 0 6.509 1.292 -2.893
104 H91 H 1H9 N N N 0 -1.954 0.45 2.473
105 H92 H 2H9 N N N 0 -2.888 1.886 2.31
106 HO12 H HO12 N N N 0 0.671 1.329 2.168
107 HO13 H HO13 N N N 0 2.168 2.742 5.097
108 HO2A H HO2A N N N 0 -2.476 -2.504 -3.751
109 HO4B H HO4B N N N 0 2.405 1.509 -4.783
110 HO6 H HO6 N N N 0 -4.146 -2.872 1.35
111 N10 N N10 N N N 0 -2.852 1.123 4.249
112 N3A N N3A N N N 0 -2.627 0.594 -5.898
113 O1 O O1 N N N 0 2.826 -0.473 1.581
114 O12 O O12 N N N 0 -0.117 1.732 2.554
115 O13 O O13 N N N 0 1.362 2.66 4.569
116 O14 O O14 N N N 0 1.502 -0.692 3.359
117 O1A O O1A N N N 0 -2.367 -1.544 -1.532
118 O1B O O1B N N N 0 1.66 -2.11 -0.921
119 O2A O O2A N N N 0 -2.117 -1.81 -4.321
120 O3B O O3B N N N 0 5.208 -0.184 -3.522
121 O4B O O4B N N N 0 3.033 0.85 -4.458
122 O5A O O5A N N N 0 -2.289 0.776 -1.73
123 O5B O O5B N N N 0 1.381 -0.096 -2.041
124 O6 O O6 N N N 0 -3.511 -2.803 0.625