Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XBK

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 93


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N N N N 0 6.852 -3.881 -0.825
2 C1 C C1 S N N 0 3.211 3.709 0.318
3 O1 O O1 N N N 0 4.357 4.244 -0.348
4 C2 C C2 R N N 0 3.507 2.275 0.791
5 O2 O O2 N N N 0 5.85 2.76 1.402
6 C3 C C3 N N N 0 4.648 2.29 1.775
7 O3 O O3 N N N 0 4.483 1.88 2.899
8 C4 C C4 S N N 0 2.25 1.723 1.467
9 O4 O O4 N N N 0 2.814 -1.866 0.994
10 C5 C C5 N N N 0 2.496 0.317 1.982
11 O5 O O5 N N N 0 4.217 -4.14 0.143
12 C6 C C6 R N N 0 1.923 -0.75 1.052
13 O6 O O6 N N N 0 6.105 -2.754 -3.371
14 C7 C C7 R N N 0 3.81 -1.762 -0.026
15 O7 O O7 N N N 0 3.196 -1.912 -1.308
16 C8 C C8 S N N 0 4.856 -2.862 0.169
17 O8 O O8 N N N 0 -7.658 -0.285 -0.008
18 C9 C C9 S N N 0 5.887 -2.782 -0.962
19 O9 O O9 N N N 0 -7.376 0.376 -2.117
20 C10 C C10 S N N 0 5.163 -2.9 -2.306
21 O10 O O10 N N N 0 -1.008 4.825 0.541
22 C11 C C11 R N N 0 4.104 -1.799 -2.406
23 O11 O O11 N N N 0 0.504 3.854 1.189
24 C12 C C12 N N N 0 3.336 -1.947 -3.72
25 O12 O O12 N N N 0 1.167 1.729 0.524
26 C13 C C13 N N N 0 0.595 -1.193 1.594
27 C14 C C14 N N N 0 0.185 -2.461 1.555
28 C15 C C15 N N N 0 -1.142 -2.787 2.066
29 C16 C C16 N N N 0 -1.803 -3.931 1.837
30 C17 C C17 N N N 0 -3.178 -4.001 2.171
31 C18 C C18 N N N 0 -4.083 -3.78 1.207
32 C19 C C19 N N N 0 -5.5 -3.537 1.461
33 C20 C C20 N N N 0 -6.227 -2.979 0.481
34 C21 C C21 N N N 0 -7.673 -2.618 0.665
35 C22 C C22 R N N 0 -8.064 -1.593 -0.408
36 C23 C C23 N N N 0 -9.582 -1.616 -0.602
37 C24 C C24 N N N 0 -7.079 0.498 -0.944
38 C25 C C25 N N N 0 -6.121 1.466 -0.544
39 C26 C C26 N N N 0 -5.363 2.117 -1.454
40 C27 C C27 N N N 0 -4.332 3.063 -1.019
41 C28 C C28 N N N 0 -3.417 3.496 -1.886
42 C29 C C29 N N N 0 -2.326 4.436 -1.442
43 C30 C C30 S N N 0 -1.528 3.799 -0.307
44 C31 C C31 N N N 0 -0.369 2.973 -0.877
45 C32 C C32 R N N 0 0.824 3.036 0.061
46 C33 C C33 N N N 0 2.028 3.654 -0.652
47 HN H HN N N N 0 7.338 -3.828 0.058
48 HNA H HNA N N N 0 6.4 -4.776 -0.937
49 H1 H H1 N N N 0 2.958 4.334 1.174
50 HO1 H HO1 N N N 0 4.238 5.147 -0.672
51 H2 H H2 N N N 0 3.768 1.653 -0.065
52 H4 H H4 N N N 0 1.991 2.39 2.289
53 H5 H H5 N N N 0 3.57 0.16 2.081
54 H5A H H5A N N N 0 2.034 0.214 2.964
55 HO5 H HO5 N N N 0 3.547 -4.259 0.831
56 H6 H H6 N N N 0 1.793 -0.333 0.053
57 HO6 H HO6 N N N 0 5.715 -2.818 -4.253
58 H7 H H7 N N N 0 4.292 -0.786 0.035
59 H8 H H8 N N N 0 5.356 -2.724 1.128
60 H9 H H9 N N N 0 6.411 -1.828 -0.911
61 H10 H H10 N N N 0 4.682 -3.876 -2.377
62 HO10 H HO10 N N N 0 -1.686 5.382 0.946
63 H11 H H11 N N N 0 4.59 -0.824 -2.376
64 H12 H H12 N N N 0 2.581 -1.163 -3.791
65 H12A H H12A N N N 0 4.028 -1.86 -4.558
66 H12B H H12B N N N 0 2.85 -2.922 -3.75
67 H13 H H13 N N N 0 -0.05 -0.448 2.063
68 H14 H H14 N N N 0 0.822 -3.239 1.163
69 H15 H H15 N N N 0 -1.636 -2.039 2.694
70 H16 H H16 N N N 0 -1.325 -4.792 1.391
71 H17 H H17 N N N 0 -3.483 -4.234 3.181
72 H18 H H18 N N N 0 -3.74 -3.793 0.169
73 H19 H H19 N N N 0 -5.935 -3.788 2.411
74 H20 H H20 N N N 0 -5.734 -2.773 -0.466
75 H21 H H21 N N N 0 -8.289 -3.512 0.559
76 H21A H H21A N N N 0 -7.819 -2.186 1.655
77 H22 H H22 N N N 0 -7.578 -1.851 -1.349
78 H23 H H23 N N N 0 -9.86 -0.897 -1.372
79 H23A H H23A N N N 0 -9.894 -2.615 -0.907
80 H23B H H23B N N N 0 -10.072 -1.352 0.336
81 H25 H H25 N N N 0 -5.99 1.686 0.507
82 H26 H H26 N N N 0 -5.514 1.951 -2.513
83 H27 H H27 N N N 0 -4.335 3.414 0.006
84 H28 H H28 N N N 0 -3.462 3.168 -2.915
85 H29 H H29 N N N 0 -1.661 4.643 -2.281
86 H29A H H29A N N N 0 -2.77 5.369 -1.094
87 H30 H H30 N N N 0 -2.182 3.148 0.273
88 H31 H H31 N N N 0 -0.686 1.936 -0.991
89 H31A H H31A N N N 0 -0.085 3.372 -1.851
90 H33 H H33 N N N 0 1.778 4.663 -0.981
91 H33A H H33A N N N 0 2.293 3.043 -1.516
92 HO2 H HO2 N N N 0 6.551 2.75 2.068
93 HO11 H HO11 N N N 0 -0.238 3.526 1.715