Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 3LU

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 S1 S S1 N N N 0 4.324 -1.932 -0.024
2 C1 C C1 N Y N 0 6.813 1.956 -1.639
3 C2 C C2 N Y N 0 7.371 2.224 -0.403
4 C3 C C3 N Y N 0 6.819 1.674 0.739
5 C4 C C4 N Y N 0 5.145 0.596 -0.59
6 C5 C C5 R N N 0 3.932 -0.292 -0.692
7 C6 C C6 N N N 0 2.798 0.314 0.095
8 C7 C C7 R N N 0 -0.8 0.852 -0.428
9 C8 C C8 N N N 0 -4.189 2.288 0.494
10 C9 C C9 N N N 0 -2.86 -0.332 -1.937
11 C10 C C10 N N N 0 -3.67 0.637 -1.126
12 C11 C C11 N Y N 0 5.7 1.142 -1.732
13 N1 N N1 N N N 0 1.523 0.101 -0.287
14 O1 O O1 N N N 0 4.715 -1.668 1.423
15 N3 N N3 N N N 0 -1.912 1.442 0.331
16 O2 O O2 N N N 0 3.15 -2.727 0.07
17 S2 S S2 N N N 0 -1.357 -0.781 -1.016
18 O3 O O3 N N N 0 5.509 -2.443 -0.619
19 O4 O O4 N N N 0 3.034 0.992 1.072
20 C12 C C12 N Y N 0 5.71 0.855 0.645
21 O5 O O5 N N N 0 -0.913 0.127 2.477
22 O6 O O6 N N N 0 0.684 -1.243 1.801
23 O7 O O7 N N N 0 -4.628 2.014 1.594
24 O8 O O8 N N N 0 -4.594 3.41 -0.132
25 C13 C C13 R N N 0 0.422 0.69 0.478
26 C14 C C14 N N N 0 0.074 -0.213 1.634
27 C15 C C15 N N N 0 -3.213 1.393 -0.154
28 C16 C C16 N N N 0 -5.136 0.754 -1.456
29 H1 H H1 N N N 0 7.245 2.386 -2.53
30 H2 H H2 N N N 0 8.238 2.864 -0.329
31 H3 H H3 N N N 0 7.256 1.883 1.705
32 H4 H H4 N N N 0 3.638 -0.387 -1.738
33 H5 H H5 N N N 0 -0.55 1.488 -1.277
34 H6 H H6 N N N 0 -3.45 -1.228 -2.128
35 H7 H H7 N N N 0 -2.582 0.13 -2.884
36 H9 H H9 N N N 0 5.259 0.939 -2.697
37 H10 H H10 N N N 0 1.335 -0.441 -1.069
38 H11 H H11 N N N 0 5.276 0.428 1.537
39 H12 H H12 N N N 0 -1.1 -0.484 3.203
40 H13 H H13 N N N 0 -5.234 3.966 0.332
41 H14 H H14 N N N 0 0.724 1.666 0.858
42 H15 H H15 N N N 0 -5.276 0.646 -2.532
43 N2 N N2 N Y N 1 -5.879 -0.299 -0.759
44 H17 H H17 N N N 0 -5.503 1.73 -1.138
45 H8 H H8 N N N 0 4.955 -2.464 1.917
46 C19 C C19 N Y N 0 -6.461 -0.02 0.391
47 C17 C C17 N Y N 0 -7.171 -0.987 1.077
48 C20 C C20 N Y N 0 -7.266 -2.263 0.541
49 C21 C C21 N Y N 0 -6.641 -2.518 -0.67
50 C22 C C22 N Y N 0 -5.952 -1.499 -1.301
51 H16 H H16 N N N 0 -6.383 0.976 0.801
52 H18 H H18 N N N 0 -7.645 -0.753 2.018
53 H19 H H19 N N N 0 -7.813 -3.039 1.055
54 H20 H H20 N N N 0 -6.693 -3.5 -1.116
55 H21 H H21 N N N 0 -5.463 -1.689 -2.244
56 H22 H H22 N N N 0 -1.735 1.872 1.182