Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : E4R

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 61


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -3.733 1.289 0.904
2 C2 C C2 N N N 0 -3.961 1.668 -0.561
3 C3 C C3 S N N 0 -4.649 0.51 -1.286
4 O2 O O1 N N N 0 2.763 2.286 -0.799
5 C4 C C4 N N N 0 -3.763 -0.735 -1.214
6 C8 C C8 R N N 0 -0.615 -0.908 0.383
7 C5 C C5 R N N 0 -3.534 -1.114 0.25
8 C6 C C6 N N N 0 -2.648 -2.359 0.323
9 C7 C C7 N N N 0 -1.302 -2.067 -0.342
10 C9 C C9 S N N 0 -1.5 0.336 0.312
11 C10 C C10 S N N 0 -2.848 0.044 0.976
12 C11 C C11 N N N 0 -0.801 1.472 1.065
13 C12 C C12 N N N 0 0.509 1.796 0.351
14 C13 C C13 S N N 0 1.45 0.59 0.372
15 C14 C C14 S N N 0 0.752 -0.655 -0.203
16 C15 C C15 N N N 0 0.706 -0.374 -1.716
17 C16 C C16 N N N 0 2.075 0.285 -2.003
18 C17 C C17 S N N 0 2.566 0.877 -0.668
19 C18 C C18 N N N 0 2.025 0.347 1.77
20 C19 C C19 N N N 0 -2.621 -0.336 2.441
21 C20 C C20 N Y N 0 3.85 0.211 -0.247
22 C21 C C21 N Y N 0 4.206 -1.141 -0.458
23 C22 C C22 N Y N 0 4.88 0.789 0.395
24 C24 C C23 N Y N 0 5.43 -1.309 0.073
25 O14 O O2 N N N 0 1.584 -1.792 0.036
26 O23 O O3 N Y N 0 5.834 -0.137 0.588
27 O3 O O4 N N N 0 -5.906 0.237 -0.663
28 H1 H H1 N N N 0 -3.242 2.114 1.42
29 H2 H H2 N N N 0 -4.692 1.082 1.379
30 H3 H H3 N N N 0 -4.592 2.556 -0.613
31 H4 H H4 N N N 0 -3.003 1.876 -1.036
32 H5 H H5 N N N 0 -4.812 0.78 -2.33
33 H6 H H6 N N N 0 3.449 2.53 -1.436
34 H7 H H7 N N N 0 -4.253 -1.56 -1.731
35 H8 H H8 N N N 0 -2.804 -0.527 -1.689
36 H9 H H9 N N N 0 -4.493 -1.323 0.725
37 H10 H H10 N N N 0 -2.487 -2.63 1.367
38 H11 H H11 N N N 0 -3.138 -3.184 -0.195
39 H12 H H12 N N N 0 -0.671 -2.954 -0.289
40 H13 H H13 N N N 0 -1.464 -1.798 -1.386
41 H14 H H14 N N N 0 -0.5 -1.174 1.434
42 H15 H H15 N N N 0 -1.648 0.622 -0.73
43 H16 H H16 N N N 0 -1.442 2.355 1.072
44 H20 H H20 N N N 0 0.603 -1.303 -2.276
45 H17 H H17 N N N 0 -0.593 1.16 2.088
46 H18 H H18 N N N 0 0.296 2.068 -0.683
47 H19 H H19 N N N 0 0.991 2.637 0.85
48 H21 H H21 N N N 0 -0.108 0.312 -1.955
49 H22 H H22 N N N 0 2.782 -0.463 -2.362
50 H23 H H23 N N N 0 1.961 1.077 -2.743
51 H24 H H24 N N N 0 1.209 0.237 2.484
52 H25 H H25 N N N 0 2.626 -0.562 1.762
53 H26 H H26 N N N 0 2.648 1.194 2.058
54 H27 H H27 N N N 0 -3.58 -0.544 2.915
55 H28 H H28 N N N 0 -1.99 -1.223 2.493
56 H29 H H29 N N N 0 -2.131 0.489 2.958
57 H30 H H30 N N N 0 3.609 -1.895 -0.95
58 H31 H H31 N N N 0 4.932 1.823 0.703
59 H32 H H32 N N N 0 5.994 -2.23 0.082
60 H33 H H33 N N N 0 1.245 -2.614 -0.344
61 H34 H H34 N N N 0 -6.52 0.984 -0.672