Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : MQY

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 0.452 -1.23 0.331
2 C2 C C2 N Y N 0 -0.925 -0.966 0.308
3 C3 C C3 N N N 0 1.316 -0.643 1.167
4 C4 C C4 N N N 0 1.067 -2.112 -0.482
5 C5 C C5 N Y N 0 -1.491 -0.142 1.27
6 C6 C C6 N Y N 0 -1.724 -1.524 -0.681
7 N7 N N7 N N N 0 2.578 -1.072 0.986
8 O8 O O8 N N N 0 0.996 0.185 1.997
9 C9 C C9 S N N 0 2.534 -2.065 -0.102
10 O10 O O10 N N N 0 0.555 -2.799 -1.339
11 C11 C C11 N Y N 0 -2.848 0.117 1.245
12 C12 C C12 N Y N 0 -3.08 -1.262 -0.701
13 C13 C C13 N N N 0 3.765 -0.638 1.727
14 C14 C C14 N N N 0 3.003 -3.431 0.401
15 C15 C C15 N Y N 0 -3.642 -0.445 0.262
16 C16 C C16 N Y N 0 4.307 0.626 1.11
17 S17 S S17 N N N 0 -5.372 -0.114 0.234
18 C18 C C18 N Y N 0 5.108 0.58 -0.046
19 C19 C C19 N Y N 0 4.031 1.848 1.655
20 C20 C C20 N N N 0 -5.532 1.367 -0.802
21 O21 O O21 N N N 0 -5.935 -1.243 -0.42
22 O22 O O22 N N N 0 -5.694 0.185 1.585
23 C23 C C23 N Y N 0 5.597 1.794 -0.592
24 C24 C C24 N Y N 0 5.431 -0.638 -0.665
25 C25 C C25 N Y N 0 4.543 3.003 1.068
26 F26 F F26 N N N 0 -5.031 1.098 -2.08
27 F27 F F27 N N N 0 -6.881 1.726 -0.896
28 F28 F F28 N N N 0 -4.809 2.418 -0.228
29 N29 N N29 N Y N 0 5.293 2.956 -0.006
30 C30 C C30 N Y N 0 6.397 1.75 -1.747
31 C31 C C31 N Y N 0 6.209 -0.64 -1.782
32 C32 C C32 N Y N 0 6.69 0.552 -2.321
33 H5 H H5 N N N 0 -0.872 0.297 2.038
34 H6 H H6 N N N 0 -1.285 -2.162 -1.434
35 H9 H H9 N N N 0 3.139 -1.738 -0.947
36 H11 H H11 N N N 0 -3.289 0.758 1.993
37 H12 H H12 N N N 0 -3.702 -1.696 -1.47
38 H13 H H13 N N N 0 3.495 -0.448 2.766
39 H13A H H13A N N N 0 4.525 -1.418 1.685
40 H14 H H14 N N N 0 2.963 -4.152 -0.415
41 H14A H H14A N N N 0 4.028 -3.352 0.766
42 H14B H H14B N N N 0 2.354 -3.763 1.212
43 H19 H H19 N N N 0 3.416 1.918 2.54
44 H24 H H24 N N N 0 5.064 -1.569 -0.257
45 H25 H H25 N N N 0 4.316 3.962 1.51
46 H30 H H30 N N N 0 6.778 2.664 -2.177
47 H31 H H31 N N N 0 6.456 -1.578 -2.257
48 H32 H H32 N N N 0 7.305 0.524 -3.208