Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Atoms of Molecule

 Molecule : 1AQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 88


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N40 N N40 N N N 0 -7.124 -1.112 1.325
2 C41 C C41 N N N 0 -8.362 -0.38 1.625
3 C37 C C37 S N N 0 -5.945 -0.358 1.771
4 C39 C C39 N N N 0 -5.683 -0.649 3.25
5 C35 C C35 N N N 0 -4.746 -0.771 0.957
6 O36 O O36 N N N 0 -4.863 -1.612 0.091
7 C30 C C30 N N N 0 -1.123 -0.351 1.191
8 O31 O O31 N N N 0 -1.154 0.379 2.159
9 C32 C C32 S N N 0 -2.38 -0.609 0.401
10 N34 N N34 N N N 0 -3.545 -0.207 1.192
11 C42 C C42 N N N 0 -2.341 0.199 -0.898
12 C43 C C43 N N N 0 -3.546 -0.171 -1.765
13 C44 C C44 N N N 0 -3.508 0.637 -3.063
14 C45 C C45 N N N 0 -3.556 2.131 -2.736
15 F46 F F46 N N N 0 -3.521 2.87 -3.923
16 F47 F F47 N N N 0 -4.736 2.418 -2.042
17 C48 C C48 N N N 0 -2.351 2.501 -1.868
18 C49 C C49 N N N 0 -2.389 1.693 -0.57
19 C1 C C1 N N N 0 5.134 -6.451 -2.266
20 C2 C C2 N N N 0 4.161 -6.269 -1.099
21 O3 O O3 N N N 0 3.328 -5.135 -1.345
22 C4 C C4 R N N 0 2.377 -4.876 -0.31
23 C6 C C6 N N N 0 1.135 -4.144 -0.888
24 C7 C C7 R N N 0 0.805 -3.136 0.228
25 C9 C C9 N N N 0 0.059 -1.907 -0.286
26 N10 N N10 N N N 0 0.037 -0.93 0.821
27 C11 C C11 S N N 0 1.286 -0.595 1.517
28 C13 C C13 N N N 0 2.049 -1.883 1.867
29 N14 N N14 N N N 0 2.156 -2.682 0.654
30 C15 C C15 N N N 0 2.97 -3.896 0.731
31 C16 C C16 N N N 0 2.14 0.268 0.625
32 O17 O O17 N N N 0 1.747 0.572 -0.481
33 N18 N N18 N N N 0 3.342 0.701 1.056
34 C19 C C19 R N N 0 4.173 1.539 0.188
35 C21 C C21 N N N 0 5.643 1.38 0.583
36 C22 C C22 N N N 0 6.453 2.473 -0.126
37 O23 O O23 N N N 0 6.032 3.742 0.375
38 C24 C C24 N Y N 0 4.698 3.995 0.419
39 C25 C C25 N Y N 0 4.277 5.315 0.553
40 C26 C C26 N Y N 0 2.931 5.612 0.608
41 C27 C C27 N Y N 0 1.995 4.596 0.531
42 C28 C C28 N Y N 0 2.41 3.285 0.397
43 C29 C C29 N Y N 0 3.76 2.981 0.339
44 H34 H H34 N N N 0 -7.141 -2.033 1.736
45 H36 H H36 N N N 0 -8.348 0.582 1.112
46 H37 H H37 N N N 0 -9.219 -0.961 1.284
47 H38 H H38 N N N 0 -8.437 -0.218 2.7
48 H30 H H30 N N N 0 -6.125 0.709 1.638
49 H31 H H31 N N N 0 -4.808 -0.09 3.581
50 H32 H H32 N N N 0 -6.55 -0.35 3.839
51 H33 H H33 N N N 0 -5.503 -1.716 3.384
52 H28 H H28 N N N 0 -2.449 -1.671 0.166
53 H29 H H29 N N N 0 -3.452 0.465 1.885
54 H39 H H39 N N N 0 -1.422 -0.025 -1.438
55 H40 H H40 N N N 0 -3.512 -1.235 -1.998
56 H41 H H41 N N N 0 -4.466 0.053 -1.224
57 H42 H H42 N N N 0 -2.588 0.413 -3.604
58 H43 H H43 N N N 0 -4.366 0.373 -3.681
59 H44 H H44 N N N 0 -1.431 2.277 -2.409
60 H45 H H45 N N N 0 -2.385 3.566 -1.635
61 H46 H H46 N N N 0 -3.309 1.917 -0.029
62 H47 H H47 N N N 0 -1.531 1.957 0.048
63 H1 H H1 N N N 0 5.753 -5.559 -2.364
64 H2 H H2 N N N 0 5.769 -7.316 -2.078
65 H3 H H3 N N N 0 4.571 -6.606 -3.187
66 H4 H H4 N N N 0 3.541 -7.161 -1.0
67 H5 H H5 N N N 0 4.723 -6.114 -0.178
68 H6 H H6 N N N 0 2.08 -5.807 0.173
69 H7 H H7 N N N 0 1.385 -3.63 -1.816
70 H8 H H8 N N N 0 0.311 -4.841 -1.042
71 H9 H H9 N N N 0 0.272 -3.616 1.048
72 H10 H H10 N N N 0 0.582 -1.485 -1.144
73 H11 H H11 N N N 0 -0.959 -2.178 -0.565
74 H12 H H12 N N N 0 1.055 -0.051 2.434
75 H13 H H13 N N N 0 3.045 -1.634 2.233
76 H14 H H14 N N N 0 1.504 -2.44 2.629
77 H16 H H16 N N N 0 2.907 -4.327 1.73
78 H17 H H17 N N N 0 4.007 -3.669 0.485
79 H18 H H18 N N N 0 3.656 0.457 1.941
80 H19 H H19 N N N 0 4.04 1.231 -0.849
81 H20 H H20 N N N 0 5.748 1.487 1.662
82 H21 H H21 N N N 0 6.002 0.398 0.274
83 H22 H H22 N N N 0 7.515 2.332 0.076
84 H23 H H23 N N N 0 6.274 2.424 -1.2
85 H24 H H24 N N N 0 5.006 6.109 0.615
86 H25 H H25 N N N 0 2.607 6.637 0.711
87 H26 H H26 N N N 0 0.942 4.827 0.576
88 H27 H H27 N N N 0 1.677 2.494 0.337