Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : L3J

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 88


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C15 C C1 N N N 0 -7.237 1.897 -2.719
2 C17 C C2 N N N 0 -8.619 2.488 -2.435
3 C20 C C3 N Y N 0 2.302 -1.441 0.264
4 C21 C C4 N Y N 0 3.553 -1.739 -0.229
5 C22 C C5 N N N 0 3.943 -3.176 -0.459
6 C24 C C6 N N N 0 1.658 -4.142 -0.751
7 C26 C C7 N Y N 0 -0.677 -4.682 -0.106
8 C28 C C8 N Y N 0 -3.025 -4.743 -0.572
9 O01 O O1 N N N 0 0.117 1.316 0.947
10 C02 C C9 N N N 0 0.552 0.181 0.933
11 N03 N N1 N N N 0 -0.206 -0.871 1.372
12 C04 C C10 S N N 0 -1.67 -0.673 1.287
13 C05 C C11 N N N 0 -2.365 -1.918 1.84
14 C06 C C12 N N N 0 -2.071 0.551 2.112
15 N07 N N2 N N N 0 -3.516 0.778 1.981
16 C08 C C13 R N N 0 -3.819 1.567 0.78
17 C09 C C14 S N N 0 -3.957 3.043 1.161
18 O10 O O2 N N N 0 -5.005 3.191 2.121
19 C11 C C15 N N N 0 -2.641 3.539 1.763
20 C12 C C16 N N N 0 -5.11 1.083 0.172
21 N13 N N3 N N N 0 -5.589 1.665 -0.946
22 C14 C C17 N N N 0 -6.702 1.247 -1.47
23 C16 C C18 N N N 0 -7.348 0.852 -3.831
24 O18 O O3 N N N 0 -5.718 0.169 0.689
25 C19 C C19 N Y N 0 1.919 -0.108 0.439
26 C23 C C20 N N N 0 2.89 -4.102 0.155
27 C25 C C21 N N N 0 0.706 -5.249 -0.29
28 C27 C C22 N Y N 0 -1.755 -5.258 -0.752
29 C29 C C23 N Y N 0 -3.219 -3.66 0.263
30 C30 C C24 N Y N 0 -2.143 -3.088 0.916
31 C31 C C25 N Y N 0 -0.871 -3.591 0.72
32 C32 C C26 N Y N 0 4.445 -0.725 -0.525
33 C33 C C27 N Y N 0 4.083 0.603 -0.328
34 N34 N N4 N N N 0 4.992 1.624 -0.615
35 C35 C C28 N N N 0 4.506 2.966 -0.945
36 C36 C C29 N N N 0 4.259 3.75 0.346
37 C37 C C30 N N N 0 3.751 5.152 0.002
38 S38 S S1 N N N 0 6.619 1.317 -0.584
39 O39 O O4 N N N 0 6.752 0.226 0.317
40 C40 C C31 N N N 0 7.015 0.798 -2.276
41 O41 O O5 N N N 0 7.208 2.578 -0.298
42 C42 C C32 N Y N 0 2.819 0.916 0.153
43 H1 H H1 N N N 0 -6.56 2.692 -3.034
44 H2 H H2 N N N 0 -8.54 3.233 -1.643
45 H3 H H3 N N N 0 -9.007 2.958 -3.339
46 H4 H H4 N N N 0 -9.296 1.694 -2.12
47 H5 H H5 N N N 0 1.616 -2.238 0.511
48 H6 H H6 N N N 0 4.013 -3.366 -1.53
49 H7 H H7 N N N 0 4.91 -3.368 0.007
50 H8 H H8 N N N 0 1.144 -3.182 -0.706
51 H9 H H9 N N N 0 1.969 -4.336 -1.777
52 H10 H H10 N N N 0 -3.865 -5.188 -1.084
53 H11 H H11 N N N 0 0.19 -1.688 1.713
54 H12 H H12 N N N 0 -1.959 -0.524 0.247
55 H13 H H13 N N N 0 -1.958 -2.153 2.824
56 H14 H H14 N N N 0 -3.434 -1.726 1.929
57 H15 H H15 N N N 0 -1.823 0.38 3.16
58 H16 H H16 N N N 0 -1.532 1.426 1.749
59 H17 H H17 N N N 0 -4.02 -0.097 1.976
60 H19 H H19 N N N 0 -3.012 1.453 0.057
61 H20 H H20 N N N 0 -4.194 3.627 0.272
62 H21 H H21 N N N 0 -4.861 2.697 2.94
63 H22 H H22 N N N 0 -1.843 3.435 1.027
64 H23 H H23 N N N 0 -2.742 4.588 2.043
65 H24 H H24 N N N 0 -2.399 2.949 2.646
66 H25 H H25 N N N 0 -7.243 0.434 -1.01
67 H26 H H26 N N N 0 -7.735 1.322 -4.735
68 H27 H H27 N N N 0 -6.363 0.431 -4.034
69 H28 H H28 N N N 0 -8.025 0.058 -3.516
70 H29 H H29 N N N 0 3.301 -5.107 0.252
71 H30 H H30 N N N 0 2.606 -3.728 1.138
72 H31 H H31 N N N 0 0.678 -6.039 -1.041
73 H32 H H32 N N N 0 1.058 -5.661 0.656
74 H33 H H33 N N N 0 -1.604 -6.111 -1.398
75 H34 H H34 N N N 0 -4.212 -3.259 0.406
76 H35 H H35 N N N 0 -0.027 -3.131 1.214
77 H36 H H36 N N N 0 5.426 -0.964 -0.909
78 H37 H H37 N N N 0 5.252 3.485 -1.547
79 H38 H H38 N N N 0 3.576 2.888 -1.507
80 H39 H H39 N N N 0 3.513 3.231 0.948
81 H40 H H40 N N N 0 5.189 3.828 0.908
82 H41 H H41 N N N 0 3.575 5.71 0.922
83 H42 H H42 N N N 0 4.497 5.67 -0.6
84 H43 H H43 N N N 0 2.82 5.074 -0.56
85 H44 H H44 N N N 0 6.631 1.535 -2.981
86 H45 H H45 N N N 0 8.096 0.717 -2.388
87 H46 H H46 N N N 0 6.555 -0.17 -2.476
88 H47 H H47 N N N 0 2.535 1.947 0.304