Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : Q01

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 77


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -7.773 -1.051 0.085
2 C2 C C2 N Y N 0 -7.988 0.101 0.83
3 C3 C C3 N Y N 0 -8.97 0.12 1.801
4 C4 C C4 N Y N 0 -9.738 -1.006 2.032
5 C5 C C5 N Y N 0 -9.526 -2.155 1.292
6 C6 C C6 N Y N 0 -8.546 -2.18 0.32
7 C8 C C7 N N N 0 -3.34 0.361 -1.29
8 C11 C C8 N Y N 0 1.446 2.246 -1.974
9 C12 C C9 N N N 0 2.727 2.414 -2.681
10 C13 C C10 N Y N 0 1.215 2.915 -0.762
11 C14 C C11 N N N 0 1.716 1.354 2.344
12 C15 C C12 N N N 0 1.927 0.03 1.603
13 C16 C C13 N Y N 0 3.48 -1.726 1.31
14 C21 C C14 N N N 0 2.767 -6.086 -1.024
15 C23 C C15 N N N 0 5.213 -5.641 -1.266
16 C24 C C16 N Y N 0 2.827 -4.03 1.186
17 C25 C C17 N Y N 0 2.645 -2.764 1.705
18 C26 C C18 N N N 0 4.286 0.494 1.282
19 C27 C C19 N N N 0 4.172 1.84 2.016
20 O4 O O1 N N N 0 1.129 4.132 1.967
21 S1 S S1 N N N 0 2.402 3.82 1.419
22 O3 O O2 N N N 0 3.56 4.613 1.641
23 N2 N N1 N N N 0 2.774 2.293 1.942
24 N3 N N2 N N N 0 3.299 -0.444 1.833
25 C19 C C20 N Y N 0 3.84 -4.267 0.275
26 C20 C C21 N N N 0 4.036 -5.65 -0.289
27 C22 C C22 N N N 0 4.327 -6.629 0.85
28 C18 C C23 N Y N 0 4.679 -3.239 -0.113
29 C17 C C24 N Y N 0 4.499 -1.968 0.398
30 N1 N N3 N N N 0 2.198 3.74 -0.222
31 C28 C C26 N Y N 0 0.004 2.751 -0.102
32 O2 O O3 N N N 0 2.942 1.775 -3.847
33 O1 O O4 N N N 0 3.591 3.129 -2.211
34 C10 C C25 N Y N 0 0.45 1.425 -2.51
35 C29 C C27 N Y N 0 -0.971 1.935 -0.636
36 C9 C C28 N Y N 0 -0.752 1.273 -1.841
37 S S S2 N N N 0 -2.006 0.233 -2.512
38 C7 C C29 N N N 0 -4.524 -0.5 -1.735
39 C C C30 N N N 0 -5.632 -0.393 -0.719
40 O O O5 N N N 0 -5.49 0.303 0.264
41 N N N4 N N N 0 -6.782 -1.072 -0.903
42 H1 H H1 N N N 0 -7.388 0.981 0.651
43 H2 H H2 N N N 0 -9.138 1.016 2.381
44 H3 H H3 N N N 0 -10.506 -0.988 2.792
45 H4 H H4 N N N 0 -10.127 -3.033 1.475
46 H5 H H5 N N N 0 -8.381 -3.078 -0.258
47 H6 H H6 N N N 0 -2.981 0.013 -0.322
48 H7 H H7 N N N 0 -3.658 1.401 -1.207
49 H8 H H8 N N N 0 0.742 1.768 2.085
50 H9 H H9 N N N 0 1.768 1.184 3.42
51 H10 H H10 N N N 0 1.219 -0.711 1.973
52 H11 H H11 N N N 0 1.769 0.182 0.535
53 H12 H H12 N N N 0 2.908 -7.087 -1.432
54 H13 H H13 N N N 0 1.928 -6.093 -0.328
55 H14 H H14 N N N 0 2.559 -5.389 -1.836
56 H15 H H15 N N N 0 5.006 -4.944 -2.078
57 H16 H H16 N N N 0 6.117 -5.331 -0.743
58 H17 H H17 N N N 0 5.355 -6.642 -1.674
59 H18 H H18 N N N 0 2.178 -4.838 1.493
60 H19 H H19 N N N 0 1.854 -2.58 2.418
61 H20 H H20 N N N 0 4.096 0.64 0.219
62 H21 H H21 N N N 0 5.289 0.089 1.42
63 H22 H H22 N N N 0 4.463 1.715 3.058
64 H23 H H23 N N N 0 4.82 2.574 1.537
65 H24 H H24 N N N 0 4.469 -7.63 0.442
66 H25 H H25 N N N 0 5.231 -6.319 1.374
67 H26 H H26 N N N 0 3.488 -6.636 1.546
68 H27 H H27 N N N 0 5.47 -3.427 -0.825
69 H28 H H28 N N N 0 5.15 -1.164 0.089
70 H29 H H29 N N N 0 2.763 4.268 -0.808
71 H30 H H30 N N N 0 3.799 1.915 -4.274
72 H31 H H31 N N N 0 0.618 0.911 -3.445
73 H32 H H32 N N N 0 -0.175 3.265 0.831
74 H33 H H33 N N N 0 -1.911 1.811 -0.118
75 H34 H H34 N N N 0 -4.883 -0.151 -2.703
76 H35 H H35 N N N 0 -4.206 -1.539 -1.817
77 H36 H H36 N N N 0 -6.923 -1.574 -1.72