Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : SJT

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 82


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C9 C C1 N N N 0 -2.452 2.893 0.122
2 C8 C C2 R N N 0 -2.266 1.584 -0.649
3 C5 C C3 N N N 0 -9.329 -0.491 -0.952
4 C6 C C4 N N N 0 -10.012 -1.612 -1.692
5 C2 C C5 N N N 0 -7.425 -0.032 2.069
6 C4 C C6 N N N 0 -9.397 1.398 1.607
7 N N N1 N N N 0 -4.21 0.652 0.509
8 C C C7 N N N 0 -5.517 0.342 0.618
9 O O O1 N N N 0 -6.208 0.261 -0.38
10 C1 C C8 N N N 0 -6.108 0.102 1.943
11 C10 C C9 S N N 0 -1.113 -0.517 -0.577
12 C11 C C10 S N N 0 -2.422 -1.296 -0.737
13 C12 C C11 N N N 0 -3.003 -1.607 0.644
14 C13 C C12 N N N 0 -3.419 -0.446 -1.531
15 C14 C C13 N N N 0 -0.133 -1.334 0.267
16 C15 C C14 N N N 0 1.195 -0.625 0.322
17 C16 C C15 N N N 0 2.309 -1.273 -0.003
18 C17 C C16 N N N 0 2.25 -2.734 -0.37
19 C18 C C17 N N N 0 3.598 -0.565 -0.004
20 C19 C C18 N N N 0 4.712 -1.214 -0.329
21 C20 C C19 R N N 0 6.033 -0.488 -0.33
22 C21 C C20 R N N 0 7.023 -1.231 0.571
23 C22 C C21 S N N 0 8.344 -0.455 0.612
24 C23 C C22 N N N 0 9.314 -1.147 1.572
25 C24 C C23 N N N 0 8.071 0.971 1.099
26 C25 C C24 S N N 0 7.04 1.628 0.178
27 C26 C C25 N N N 0 6.717 3.032 0.693
28 C27 C C26 N N N 0 6.683 2.318 -2.089
29 C3 C C27 S N N 0 -8.342 0.479 0.988
30 C7 C C28 R N N 0 -3.621 0.891 -0.811
31 O1 O O2 N N N 0 -8.998 -0.643 0.34
32 O2 O O3 N N N 0 -9.078 0.544 -1.522
33 O3 O O4 N N N 0 -1.377 0.729 0.071
34 O4 O O5 N N N 0 7.255 -2.541 0.049
35 O5 O O6 N N N 0 8.915 -0.414 -0.697
36 O6 O O7 N N N 0 5.847 0.84 0.161
37 O7 O O8 N N N 0 7.571 1.717 -1.145
38 H1 H H1 N N N 0 -1.487 3.386 0.238
39 H2 H H2 N N N 0 -3.13 3.546 -0.428
40 H3 H H3 N N N 0 -2.871 2.679 1.105
41 H4 H H4 N N N 0 -1.847 1.799 -1.633
42 H5 H H5 N N N 0 -10.2 -1.307 -2.721
43 H6 H H6 N N N 0 -9.373 -2.495 -1.685
44 H7 H H7 N N N 0 -10.958 -1.846 -1.203
45 H8 H H8 N N N 0 -7.838 -0.508 2.947
46 H9 H H9 N N N 0 -10.06 1.768 0.825
47 H10 H H10 N N N 0 -9.977 0.842 2.343
48 H11 H H11 N N N 0 -8.904 2.24 2.094
49 H12 H H12 N N N 0 -3.659 0.716 1.304
50 H13 H H13 N N N 0 -5.472 0.036 2.814
51 H14 H H14 N N N 0 -0.679 -0.331 -1.56
52 H15 H H15 N N N 0 -2.23 -2.227 -1.269
53 H16 H H16 N N N 0 -2.968 -0.711 1.264
54 H17 H H17 N N N 0 -4.037 -1.935 0.538
55 H18 H H18 N N N 0 -2.418 -2.397 1.115
56 H19 H H19 N N N 0 -3.027 -0.266 -2.532
57 H20 H H20 N N N 0 -4.371 -0.972 -1.602
58 H21 H H21 N N N 0 -0.528 -1.445 1.277
59 H22 H H22 N N N 0 -0.001 -2.319 -0.181
60 H23 H H23 N N N 0 1.242 0.411 0.625
61 H24 H H24 N N N 0 1.999 -2.833 -1.426
62 H25 H H25 N N N 0 3.22 -3.194 -0.182
63 H26 H H26 N N N 0 1.489 -3.23 0.233
64 H27 H H27 N N N 0 3.64 0.481 0.259
65 H28 H H28 N N N 0 4.67 -2.26 -0.592
66 H29 H H29 N N N 0 6.425 -0.449 -1.346
67 H30 H H30 N N N 0 6.614 -1.306 1.578
68 H31 H H31 N N N 0 9.501 -2.165 1.228
69 H32 H H32 N N N 0 10.253 -0.595 1.6
70 H33 H H33 N N N 0 8.878 -1.176 2.571
71 H34 H H34 N N N 0 7.682 0.94 2.117
72 H35 H H35 N N N 0 8.997 1.546 1.08
73 H36 H H36 N N N 0 7.626 3.632 0.707
74 H37 H H37 N N N 0 5.982 3.5 0.037
75 H38 H H38 N N N 0 6.311 2.964 1.703
76 H39 H H39 N N N 0 7.16 2.348 -3.069
77 H40 H H40 N N N 0 5.765 1.733 -2.15
78 H41 H H41 N N N 0 6.446 3.333 -1.769
79 H42 H H42 N N N 0 -7.761 1.035 0.252
80 H43 H H43 N N N 0 -4.287 1.524 -1.398
81 H44 H H44 N N N 0 6.459 -3.087 -0.01
82 H45 H H45 N N N 0 9.108 -1.285 -1.07