Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 8V9

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 C34 C C1 N Y N 0 -8.209 2.015 -1.075
2 C35 C C2 N Y N 0 -10.205 0.196 -0.465
3 C36 C C3 N Y N 0 -9.457 2.467 -0.692
4 C37 C C4 N Y N 0 -10.459 1.557 -0.386
5 C32 C C5 N Y N 0 -7.96 0.658 -1.159
6 C27 C C6 N Y N 0 -0.34 2.445 -2.515
7 C28 C C7 N Y N 0 -1.562 3.023 -2.226
8 C30 C C8 N N N 0 -6.597 0.168 -1.577
9 C29 C C9 N N N 0 -5.729 -0.003 -0.357
10 C10 C C10 N N N 0 8.764 1.316 -0.284
11 S01 S S1 N N N 0 2.933 -3.813 -1.45
12 S02 S S2 N N N 0 -5.61 -2.123 1.787
13 O01 O O1 N N N 0 8.033 0.004 -2.217
14 O02 O O2 N N N 0 3.85 0.419 -0.59
15 O03 O O3 N N N 0 0.978 -0.61 3.14
16 O04 O O4 N N N 0 3.35 -0.648 2.056
17 O05 O O5 N N N 0 -1.867 -0.28 -0.855
18 O06 O O6 N N N 0 -6.173 0.248 0.743
19 O07 O O7 N N N 0 -11.688 1.999 -0.01
20 N01 N N1 N N N 0 2.859 -1.862 0.265
21 N02 N N2 N N N 0 5.987 -0.178 -0.574
22 N03 N N3 N N N 0 -1.201 -0.604 1.236
23 N04 N N4 N N N 0 -4.459 -0.435 -0.489
24 C01 C C11 R N N 0 4.228 -1.882 -0.228
25 C02 C C12 N N N 0 4.392 -2.691 -1.534
26 C03 C C13 S N N 0 6.42 1.201 -0.816
27 C04 C C14 N N N 0 1.881 -2.586 -0.57
28 C05 C C15 N N N 0 4.674 -0.464 -0.477
29 C06 C C16 R N N 0 7.808 1.215 -1.492
30 C07 C C17 N N N 0 5.699 -3.487 -1.528
31 C08 C C18 N N N 0 4.313 -1.779 -2.76
32 C09 C C19 N Y N 0 6.611 1.929 0.497
33 C11 C C20 N Y N 0 7.958 1.996 0.803
34 C12 C C21 N N N 0 2.51 -1.229 1.403
35 C13 C C22 S N N 0 1.075 -1.243 1.863
36 C14 C C23 S N N 0 0.208 -0.488 0.853
37 C15 C C24 N Y N 0 5.681 2.49 1.355
38 C16 C C25 N Y N 0 8.37 2.623 1.966
39 C17 C C26 N N N 0 0.613 0.987 0.835
40 C18 C C27 N Y N 0 6.094 3.115 2.516
41 C19 C C28 N Y N 0 7.44 3.182 2.822
42 C20 C C29 N Y N 0 -0.154 1.706 -0.245
43 C22 C C30 R N N 0 -3.615 -0.602 0.697
44 C23 C C31 N Y N 0 -1.377 2.283 0.043
45 C24 C C32 N Y N 0 0.364 1.786 -1.524
46 C25 C C33 N N N 0 -3.866 -1.98 1.312
47 C26 C C34 N Y N 0 -2.08 2.942 -0.948
48 C31 C C35 N N N 0 -5.708 -3.795 2.484
49 C21 C C37 N N N 0 -2.166 -0.484 0.303
50 C33 C C36 N Y N 0 -8.958 -0.251 -0.859
51 H1 H H1 N N N 0 -7.429 2.723 -1.314
52 H2 H H2 N N N 0 -10.983 -0.514 -0.228
53 H3 H H3 N N N 0 -9.653 3.527 -0.631
54 H4 H H4 N N N 0 0.063 2.504 -3.515
55 H5 H H5 N N N 0 -2.112 3.538 -3.0
56 H6 H H6 N N N 0 -6.697 -0.789 -2.089
57 H7 H H7 N N N 0 -6.14 0.894 -2.249
58 H8 H H8 N N N 0 9.071 0.322 0.04
59 H9 H H9 N N N 0 9.636 1.916 -0.541
60 H10 H H10 N N N 0 8.922 -0.073 -2.588
61 H11 H H11 N N N 0 1.27 0.312 3.146
62 H12 H H12 N N N 0 -11.785 2.126 0.944
63 H13 H H13 N N N 0 6.645 -0.884 -0.483
64 H14 H H14 N N N 0 -1.44 -0.766 2.162
65 H15 H H15 N N N 0 -4.104 -0.637 -1.369
66 H16 H H16 N N N 0 4.869 -2.321 0.536
67 H17 H H17 N N N 0 5.692 1.722 -1.437
68 H18 H H18 N N N 0 1.402 -1.91 -1.278
69 H19 H H19 N N N 0 1.139 -3.088 0.051
70 H20 H H20 N N N 0 7.916 2.081 -2.145
71 H21 H H21 N N N 0 5.733 -4.136 -2.403
72 H22 H H22 N N N 0 6.543 -2.798 -1.552
73 H23 H H23 N N N 0 5.75 -4.093 -0.624
74 H24 H H24 N N N 0 3.396 -1.191 -2.717
75 H25 H H25 N N N 0 5.173 -1.109 -2.77
76 H26 H H26 N N N 0 4.313 -2.385 -3.665
77 H27 H H27 N N N 0 0.728 -2.274 1.94
78 H28 H H28 N N N 0 0.35 -0.916 -0.14
79 H29 H H29 N N N 0 4.629 2.439 1.117
80 H30 H H30 N N N 0 9.422 2.675 2.206
81 H31 H H31 N N N 0 0.387 1.437 1.802
82 H32 H H32 N N N 0 1.682 1.068 0.637
83 H33 H H33 N N N 0 5.366 3.552 3.183
84 H34 H H34 N N N 0 7.765 3.67 3.728
85 H35 H H35 N N N 0 -3.858 0.171 1.427
86 H36 H H36 N N N 0 -1.782 2.22 1.042
87 H37 H H37 N N N 0 1.319 1.335 -1.749
88 H38 H H38 N N N 0 -3.238 -2.104 2.194
89 H39 H H39 N N N 0 -3.623 -2.753 0.582
90 H40 H H40 N N N 0 -3.035 3.395 -0.722
91 H41 H H41 N N N 0 -5.42 -4.522 1.724
92 H42 H H42 N N N 0 -5.034 -3.873 3.336
93 H43 H H43 N N N 0 -6.73 -3.994 2.808
94 H44 H H44 N N N 0 -8.759 -1.311 -0.921