Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 21Q

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


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 3.414 1.497 2.566
2 C2 C C2 N N N 0 3.248 1.854 1.088
3 C3 C C3 N Y N 0 3.669 0.683 0.238
4 N6 N N6 N Y N 0 3.637 -1.199 -0.945
5 C7 C C7 N Y N 0 2.87 -0.332 -0.198
6 C8 C C8 N N N 0 1.436 -0.477 0.083
7 C11 C C11 N Y N 0 -0.587 -1.721 -0.064
8 C12 C C12 N Y N 0 -1.418 -0.626 0.124
9 C13 C C13 N Y N 0 -2.746 -0.815 0.458
10 C14 C C14 N Y N 0 -3.249 -2.095 0.606
11 C15 C C15 N Y N 0 -2.428 -3.191 0.421
12 C16 C C16 N Y N 0 -1.096 -3.01 0.085
13 O17 O O17 N N N 0 -0.286 -4.087 -0.097
14 C22 C C22 N N N 0 -5.743 0.32 -1.166
15 C24 C C24 N N N 0 -3.804 1.875 -1.676
16 C27 C C27 N N N 0 6.159 1.26 -0.059
17 O28 O O28 N N N 0 6.832 1.117 0.941
18 C4 C C4 N Y N 0 4.968 0.431 -0.266
19 C5 C C5 N Y N 0 4.899 -0.748 -0.991
20 C26 C C26 N N N 0 6.047 -1.41 -1.709
21 C29 C C29 N N N 0 6.548 2.291 -1.087
22 C23 C C23 N N N 0 -6.899 1.259 -0.814
23 C25 C C25 N N N 0 -4.38 3.278 -1.477
24 N10 N N10 N N N 0 0.757 -1.532 -0.408
25 O20 O O20 N N N 0 -2.952 1.669 1.028
26 N21 N N21 N N N 0 -4.475 0.938 -0.772
27 O9 O O9 N N N 0 0.861 0.356 0.76
28 O19 O O19 N N N 0 -4.863 0.137 1.53
29 S18 S S18 N N N 0 -3.799 0.577 0.697
30 H1 H H1 N N N 0 2.793 0.633 2.804
31 H2 H H2 N N N 0 4.459 1.259 2.767
32 H3 H H3 N N N 0 3.11 2.343 3.181
33 H4 H H4 N N N 0 2.203 2.092 0.887
34 H5 H H5 N N N 0 3.869 2.717 0.85
35 H6 H H6 N N N 0 3.314 -2.007 -1.373
36 H7 H H7 N N N 0 -1.028 0.374 0.009
37 H8 H H8 N N N 0 -4.287 -2.238 0.868
38 H9 H H9 N N N 0 -2.824 -4.189 0.537
39 H11 H H11 N N N 0 -5.868 -0.624 -0.636
40 H10 H H10 N N N 0 0.161 -4.384 0.707
41 H12 H H12 N N N 0 -5.739 0.136 -2.24
42 H13 H H13 N N N 0 -3.962 1.56 -2.708
43 H14 H H14 N N N 0 -2.736 1.887 -1.46
44 H15 H H15 N N N 0 6.158 -0.971 -2.7
45 H16 H H16 N N N 0 6.965 -1.26 -1.141
46 H17 H H17 N N N 0 5.848 -2.477 -1.804
47 H18 H H18 N N N 0 7.141 1.818 -1.869
48 H19 H H19 N N N 0 5.649 2.725 -1.525
49 H20 H H20 N N N 0 7.135 3.076 -0.611
50 H21 H H21 N N N 0 -6.903 1.443 0.26
51 H22 H H22 N N N 0 -6.774 2.203 -1.344
52 H23 H H23 N N N 0 -7.843 0.799 -1.107
53 H24 H H24 N N N 0 -5.449 3.266 -1.693
54 H25 H H25 N N N 0 -4.222 3.592 -0.445
55 H26 H H26 N N N 0 -3.881 3.975 -2.15
56 H27 H H27 N N N 0 1.199 -2.16 -1.0