Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : J1H

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 108


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -9.589 -0.037 -1.934
2 C2 C C2 N Y N 0 -9.781 -1.389 -2.132
3 C3 C C3 N Y N 0 -10.458 -2.14 -1.187
4 CL4 CL CL1 N N N 0 -10.696 -3.841 -1.442
5 C5 C C4 N Y N 0 -10.946 -1.54 -0.039
6 C6 C C5 N Y N 0 -10.76 -0.189 0.168
7 C7 C C6 N Y N 0 -10.074 0.571 -0.778
8 C8 C C7 N Y N 0 -9.87 2.024 -0.56
9 C9 C C8 N Y N 0 -10.321 2.943 -1.505
10 C10 C C9 N Y N 0 -10.128 4.294 -1.297
11 C11 C C10 N Y N 0 -9.49 4.736 -0.153
12 C12 C C11 N Y N 0 -9.041 3.828 0.789
13 C13 C C12 N Y N 0 -9.233 2.476 0.595
14 C14 C C13 N N N 0 -8.744 1.488 1.622
15 N15 N N1 N N N 0 -7.488 0.882 1.159
16 C18 C C14 N N N 0 -7.104 -0.251 2.013
17 C19 C C15 N N N 0 -5.838 -0.903 1.452
18 C16 C C16 N N N 0 -6.412 1.88 1.098
19 C17 C C17 N N N 0 -5.146 1.229 0.538
20 N20 N N2 N N N 0 -4.762 0.096 1.391
21 C21 C C18 N Y N 0 -3.574 -0.478 0.953
22 C24 C C19 N Y N 0 -2.919 0.044 -0.159
23 C25 C C20 N Y N 0 -1.743 -0.522 -0.595
24 C22 C C21 N Y N 0 -3.038 -1.57 1.631
25 C23 C C22 N Y N 0 -1.862 -2.139 1.201
26 C26 C C23 N Y N 0 -1.205 -1.622 0.08
27 C27 C C24 N N N 0 0.055 -2.231 -0.385
28 O28 O O1 N N N 0 0.628 -1.776 -1.357
29 N29 N N3 N N N 0 0.572 -3.291 0.267
30 S30 S S1 N N N 0 1.987 -3.974 -0.255
31 O31 O O2 N N N 0 2.28 -5.031 0.649
32 O32 O O3 N N N 0 1.848 -4.166 -1.656
33 C33 C C25 N Y N 0 3.257 -2.772 -0.041
34 C34 C C26 N Y N 0 3.962 -2.716 1.147
35 C35 C C27 N Y N 0 4.958 -1.775 1.318
36 N36 N N4 N N N 1 5.712 -1.716 2.59
37 O38 O O4 N N N -1 6.045 -0.639 3.052
38 O37 O O5 N N N 0 5.999 -2.745 3.176
39 C39 C C28 N Y N 0 3.552 -1.89 -1.065
40 C40 C C29 N Y N 0 4.547 -0.947 -0.901
41 C41 C C30 N Y N 0 5.253 -0.884 0.294
42 N42 N N5 N N N 0 6.26 0.069 0.463
43 C43 C C31 R N N 0 6.459 1.111 -0.547
44 C44 C C32 N N N 0 7.906 1.605 -0.492
45 C45 C C33 N N N 0 8.849 0.468 -0.892
46 N46 N N6 N N N 1 10.238 0.942 -0.839
47 C47 C C34 N N N 0 10.407 2.068 -1.767
48 C49 C C35 N N N 0 10.553 1.382 0.527
49 C48 C C36 N N N 0 11.143 -0.149 -1.223
50 C58 C C37 N N N 0 12.568 0.34 -1.178
51 O60 O O6 N N N 0 13.568 -0.468 -1.563
52 O59 O O7 N N N 0 12.81 1.46 -0.794
53 C50 C C38 N N N 0 5.511 2.279 -0.269
54 C54 C C41 N Y N 0 2.787 5.497 0.496
55 S51 S S2 N N N 0 3.795 1.693 -0.335
56 C52 C C39 N Y N 0 2.865 3.151 0.004
57 C53 C C40 N Y N 0 3.518 4.357 0.231
58 C57 C C44 N Y N 0 1.477 3.099 0.04
59 C55 C C42 N Y N 0 1.405 5.441 0.537
60 C56 C C43 N Y N 0 0.752 4.243 0.312
61 H1 H H1 N N N 0 -9.06 0.548 -2.672
62 H2 H H2 N N N 0 -9.401 -1.862 -3.026
63 H3 H H3 N N N 0 -11.474 -2.13 0.695
64 H4 H H4 N N N 0 -11.138 0.278 1.066
65 H5 H H5 N N N 0 -10.818 2.599 -2.4
66 H6 H H6 N N N 0 -10.477 5.007 -2.03
67 H7 H H7 N N N 0 -9.342 5.794 0.006
68 H8 H H8 N N N 0 -8.547 4.179 1.684
69 H9 H H9 N N N 0 -8.572 2.002 2.568
70 H10 H H10 N N N 0 -9.493 0.709 1.763
71 H12 H H12 N N N 0 -6.912 0.105 3.025
72 H13 H H13 N N N 0 -7.912 -0.982 2.032
73 H14 H H14 N N N 0 -5.535 -1.725 2.1
74 H15 H H15 N N N 0 -6.038 -1.284 0.451
75 H16 H H16 N N N 0 -6.715 2.703 0.45
76 H17 H H17 N N N 0 -6.212 2.261 2.1
77 H18 H H18 N N N 0 -5.338 0.872 -0.475
78 H19 H H19 N N N 0 -4.338 1.96 0.519
79 H20 H H20 N N N 0 -3.335 0.893 -0.681
80 H21 H H21 N N N 0 -1.236 -0.117 -1.459
81 H25 H H25 N N N 0 3.732 -3.409 1.943
82 H22 H H22 N N N 0 -3.546 -1.97 2.496
83 H23 H H23 N N N 0 -1.447 -2.986 1.727
84 H24 H H24 N N N 0 0.116 -3.653 1.042
85 H26 H H26 N N N 0 3.003 -1.939 -1.994
86 H27 H H27 N N N 0 4.776 -0.258 -1.701
87 H28 H H28 N N N 0 6.827 0.04 1.249
88 H29 H H29 N N N 0 6.252 0.703 -1.536
89 H30 H H30 N N N 0 8.031 2.441 -1.18
90 H31 H H31 N N N 0 8.14 1.931 0.522
91 H32 H H32 N N N 0 8.723 -0.367 -0.203
92 H33 H H33 N N N 0 8.615 0.142 -1.905
93 H34 H H34 N N N 0 9.803 2.911 -1.43
94 H35 H H35 N N N 0 11.456 2.362 -1.795
95 H36 H H36 N N N 0 10.087 1.768 -2.765
96 H37 H H37 N N N 0 10.552 0.521 1.196
97 H38 H H38 N N N 0 11.538 1.85 0.54
98 H39 H H39 N N N 0 9.805 2.101 0.859
99 H40 H H40 N N N 0 11.023 -0.982 -0.53
100 H41 H H41 N N N 0 10.905 -0.48 -2.234
101 H42 H H42 N N N 0 14.465 -0.11 -1.516
102 H43 H H43 N N N 0 5.718 2.687 0.72
103 H44 H H44 N N N 0 5.659 3.055 -1.02
104 H45 H H45 N N N 0 4.597 4.402 0.2
105 H46 H H46 N N N 0 3.293 6.435 0.673
106 H47 H H47 N N N 0 0.836 6.334 0.745
107 H48 H H48 N N N 0 -0.327 4.202 0.345
108 H49 H H49 N N N 0 0.966 2.165 -0.14