Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 57L

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 65


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N3 N N1 N N N 0 1.964 -1.463 -0.816
2 C4 C C1 N Y N 0 4.195 -0.62 -0.268
3 N2 N N2 N Y N 0 6.104 3.545 -0.288
4 C7 C C2 N Y N 0 5.942 1.42 0.447
5 C6 C C3 N Y N 0 4.956 1.646 -0.534
6 C9 C C4 N N N 0 3.276 -1.715 -0.636
7 C13 C C5 N N N 0 -0.112 -2.649 -0.327
8 C20 C C6 N N N 0 -6.45 0.601 0.75
9 C21 C C7 N N N 0 -7.285 1.593 -0.061
10 C8 C C8 N Y N 0 5.116 3.033 -0.964
11 C18 C C9 N N N 0 -2.483 -2.85 0.823
12 C16 C C10 N N N 0 -2.487 0.157 -0.942
13 C19 C C11 N N N 0 -4.266 -0.363 0.752
14 C1 C C12 N N N 0 7.093 -0.079 2.104
15 C2 C C13 N Y N 0 6.04 0.167 1.054
16 C3 C C14 N Y N 0 5.185 -0.833 0.703
17 C5 C C15 N Y N 0 4.081 0.618 -0.89
18 N1 N N3 N Y N 0 6.635 2.591 0.586
19 O1 O O1 N N N 0 3.702 -2.845 -0.776
20 C10 C C16 N N N 0 1.413 -0.131 -0.533
21 C11 C C17 N N N 0 0.239 -0.281 0.441
22 C12 C C18 N N N 0 -0.759 -1.287 -0.119
23 C14 C C19 N N N 0 1.061 -2.513 -1.306
24 C15 C C20 N N N 0 -1.35 -0.768 -1.449
25 N4 N N4 N N N 0 -3.026 -0.522 0.25
26 C17 C C21 S N N 0 -1.984 -1.404 0.802
27 O2 O O2 N N N 0 -4.604 -0.978 1.744
28 O3 O O3 N N N 0 -5.131 0.478 0.154
29 C22 C C22 N N N 0 -7.42 1.09 -1.5
30 C23 C C23 N N N 0 -8.675 1.722 0.566
31 C24 C C24 N N N 0 -6.597 2.959 -0.061
32 H12 H H1 N N N 0 0.254 -3.028 0.627
33 H13 H H2 N N N 0 -0.847 -3.342 -0.736
34 H25 H H3 N N N 0 -6.354 0.959 1.775
35 H24 H H4 N N N 0 -6.94 -0.373 0.75
36 H7 H H5 N N N 0 4.523 3.541 -1.709
37 H21 H H6 N N N 0 -1.692 -3.502 1.193
38 H22 H H7 N N N 0 -3.352 -2.925 1.477
39 H23 H H8 N N N 0 -2.761 -3.154 -0.187
40 H18 H H9 N N N 0 -2.088 1.135 -0.673
41 H19 H H10 N N N 0 -3.261 0.26 -1.702
42 H3 H H11 N N N 0 6.689 0.164 3.087
43 H4 H H12 N N N 0 7.39 -1.127 2.082
44 H2 H H13 N N N 0 7.961 0.549 1.902
45 H5 H H14 N N N 0 5.268 -1.799 1.178
46 H6 H H15 N N N 0 3.323 0.783 -1.641
47 H1 H H16 N N N 0 7.377 2.737 1.193
48 H8 H H17 N N N 0 2.184 0.495 -0.082
49 H9 H H18 N N N 0 1.064 0.325 -1.459
50 H11 H H19 N N N 0 0.608 -0.633 1.404
51 H10 H H20 N N N 0 -0.252 0.683 0.571
52 H14 H H21 N N N 0 0.681 -2.24 -2.29
53 H15 H H22 N N N 0 1.6 -3.459 -1.37
54 H16 H H23 N N N 0 -1.75 -1.588 -2.045
55 H17 H H24 N N N 0 -0.608 -0.202 -2.012
56 H20 H H25 N N N 0 -1.723 -1.084 1.81
57 H28 H H26 N N N 0 -7.911 0.117 -1.5
58 H27 H H27 N N N 0 -8.015 1.797 -2.078
59 H26 H H28 N N N 0 -6.43 0.998 -1.947
60 H29 H H29 N N N 0 -8.579 2.08 1.591
61 H30 H H30 N N N 0 -9.27 2.429 -0.012
62 H31 H H31 N N N 0 -9.165 0.749 0.566
63 H32 H H32 N N N 0 -5.607 2.868 -0.508
64 H33 H H34 N N N 0 -6.501 3.318 0.964
65 H34 H H33 N N N 0 -7.192 3.666 -0.639