Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 8C0

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 94


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O38 O O1 N N N 0 -3.288 -6.783 -0.495
2 C32 C C1 N Y N 0 -3.695 -5.487 -0.449
3 C31 C C2 N Y N 0 -4.034 -4.907 0.765
4 C30 C C3 N Y N 0 -4.446 -3.59 0.809
5 C33 C C4 N Y N 0 -3.767 -4.739 -1.616
6 C34 C C5 N Y N 0 -4.181 -3.422 -1.567
7 C29 C C6 N Y N 0 -4.523 -2.849 -0.356
8 C21 C C7 S N N 0 -4.973 -1.411 -0.305
9 O39 O O2 N N N 0 -5.973 -1.261 0.705
10 C40 C C8 N N N 0 -7.308 -1.46 0.235
11 C20 C C9 N N N 0 -3.779 -0.514 0.022
12 C19 C C10 N N N 0 -4.208 0.953 -0.049
13 C18 C C11 S N N 0 -3.051 1.846 0.404
14 C25 C C12 N N N 0 -3.518 3.302 0.449
15 C26 C C13 N N N 0 -4.571 3.467 1.546
16 C27 C C14 N N N 0 -5.119 4.895 1.517
17 C28 C C15 N N N 0 -6.172 5.06 2.614
18 C17 C C16 R N N 0 -1.889 1.713 -0.582
19 C41 C C17 N N N 0 -2.333 2.2 -1.963
20 C16 C C18 R N N 0 -0.71 2.559 -0.097
21 C15 C C19 N N N 0 -0.283 2.122 1.329
22 C23 C C20 R N N 0 0.511 2.312 -0.97
23 C24 C C21 N N N 0 0.514 0.855 -1.435
24 C12 C C22 N N N 0 0.737 3.217 -2.159
25 C14 C C26 N N N 0 1.219 1.73 1.235
26 C11 C C23 N N N 0 1.962 2.683 -2.921
27 C10 C C24 N N N 0 3.21 2.654 -2.04
28 C22 C C25 S N N 0 1.699 2.522 0.013
29 C9 C C27 N N N 0 2.908 1.995 -0.701
30 C8 C C28 N N N 0 3.662 1.022 -0.201
31 C5 C C32 N N N 0 5.049 -1.283 0.698
32 C7 C C29 N N N 0 4.838 0.546 -0.946
33 C6 C C30 N N N 0 5.53 -0.496 -0.499
34 C1 C C31 N N N 0 6.818 -0.911 -1.174
35 C4 C C33 R N N 0 6.169 -1.315 1.746
36 O37 O O3 N N N 0 5.838 -2.251 2.774
37 C3 C C34 N N N 0 7.453 -1.734 1.067
38 C36 C C35 N N N 0 8.136 -2.761 1.508
39 C2 C C36 R N N 0 7.934 -0.944 -0.122
40 O35 O O4 N N N 0 8.255 0.388 0.285
41 H1 H H1 N N N 0 -4.008 -7.417 -0.618
42 H2 H H2 N N N 0 -3.975 -5.486 1.675
43 H3 H H3 N N N 0 -4.71 -3.138 1.754
44 H4 H H4 N N N 0 -3.5 -5.187 -2.562
45 H5 H H5 N N N 0 -4.237 -2.84 -2.475
46 H6 H H6 N N N 0 -5.388 -1.126 -1.272
47 H7 H H7 N N N 0 -7.53 -0.734 -0.547
48 H8 H H8 N N N 0 -7.406 -2.469 -0.166
49 H9 H H9 N N N 0 -8.007 -1.329 1.061
50 H10 H H10 N N N 0 -3.419 -0.739 1.026
51 H11 H H11 N N N 0 -2.981 -0.694 -0.698
52 H12 H H12 N N N 0 -4.48 1.203 -1.074
53 H13 H H13 N N N 0 -5.067 1.112 0.604
54 H14 H H14 N N N 0 -2.722 1.539 1.397
55 H15 H H15 N N N 0 -2.667 3.95 0.661
56 H16 H H16 N N N 0 -3.95 3.575 -0.514
57 H17 H H17 N N N 0 -5.386 2.762 1.376
58 H18 H H18 N N N 0 -4.118 3.271 2.517
59 H19 H H19 N N N 0 -4.304 5.6 1.686
60 H20 H H20 N N N 0 -5.572 5.091 0.546
61 H21 H H21 N N N 0 -6.562 6.078 2.594
62 H22 H H22 N N N 0 -6.986 4.355 2.445
63 H23 H H23 N N N 0 -5.718 4.864 3.586
64 H24 H H24 N N N 0 -1.584 0.668 -0.646
65 H25 H H25 N N N 0 -2.637 3.245 -1.899
66 H26 H H26 N N N 0 -1.504 2.105 -2.665
67 H27 H H27 N N N 0 -3.173 1.597 -2.308
68 H28 H H28 N N N 0 -0.974 3.616 -0.106
69 H29 H H29 N N N 0 -0.412 2.949 2.027
70 H30 H H30 N N N 0 -0.875 1.265 1.65
71 H31 H H31 N N N 0 -0.314 0.693 -2.126
72 H32 H H32 N N N 0 1.456 0.636 -1.939
73 H36 H H36 N N N 0 1.751 1.673 -3.27
74 H33 H H33 N N N 0 0.401 0.198 -0.573
75 H34 H H34 N N N 0 -0.138 3.2 -2.808
76 H35 H H35 N N N 0 0.927 4.235 -1.819
77 H37 H H37 N N N 0 2.152 3.324 -3.782
78 H38 H H38 N N N 0 3.995 2.094 -2.547
79 H39 H H39 N N N 0 3.551 3.675 -1.867
80 H40 H H40 N N N 0 1.817 3.577 0.26
81 H41 H H41 N N N 0 1.757 2.04 2.131
82 H42 H H42 N N N 0 1.328 0.659 1.068
83 H43 H H43 N N N 0 3.412 0.581 0.753
84 H44 H H44 N N N 0 5.137 1.043 -1.857
85 H45 H H45 N N N 0 6.698 -1.902 -1.612
86 H46 H H46 N N N 0 7.069 -0.194 -1.955
87 H47 H H47 N N N 0 4.166 -0.803 1.121
88 H48 H H48 N N N 0 4.801 -2.3 0.393
89 H49 H H49 N N N 0 6.291 -0.323 2.181
90 H50 H H50 N N N 0 6.504 -2.322 3.471
91 H51 H H51 N N N 0 7.783 -3.317 2.365
92 H52 H H52 N N N 0 9.052 -3.052 1.016
93 H53 H H53 N N N 0 8.818 -1.421 -0.545
94 H54 H H54 N N N 0 8.948 0.437 0.958