Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 002

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 67


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 S N N 0 -1.036 0.293 0.447
2 C2 C C2 S N N 0 -1.041 1.804 0.685
3 C3 C C3 N N N 0 -2.288 2.191 1.482
4 C4 C C4 N N N 0 -2.201 1.595 2.888
5 C5 C C5 N N N 0 1.298 -0.4 0.528
6 C6 C C6 N N N 0 -2.203 -0.081 -0.431
7 C7 C C7 S N N 0 -4.574 -0.548 -0.745
8 C8 C C8 N N N 0 -5.705 -1.025 0.168
9 C9 C C9 N N N 0 3.102 1.743 -0.05
10 C10 C C10 N N N 0 3.051 0.539 -0.954
11 C11 C C11 N N N 0 -5.072 0.577 -1.616
12 C12 C C12 N N N 0 -1.048 2.533 -0.66
13 N3 N N3 N N N 0 0.214 -0.094 -0.212
14 O6 O O6 N N N 0 -2.016 -0.388 -1.589
15 O1 O O1 N N N 0 -4.546 1.663 -1.559
16 O2 O O2 N N N 0 3.491 4.079 0.3
17 C13 C C13 N N N 0 -5.227 -2.228 0.984
18 C20 C C20 N N N 0 -6.295 -2.601 2.015
19 C21 C C21 N N N 0 -4.984 -3.415 0.05
20 N1 N N1 N N N 0 3.443 2.947 -0.549
21 O3 O O3 N N N 0 2.836 1.629 1.128
22 C22 C C22 R N N 0 2.615 -0.686 -0.148
23 C23 C C23 N N N 0 3.673 -1.004 0.911
24 O4 O O4 N N N 0 1.215 -0.446 1.737
25 N2 N N2 N N N 0 -3.454 -0.074 0.071
26 O5 O O5 N N N 0 -6.101 0.373 -2.453
27 C14 C C14 N Y N 0 4.945 -1.443 0.233
28 C15 C C15 N Y N 0 5.955 -0.528 0.0
29 C16 C C16 N Y N 0 7.122 -0.931 -0.622
30 C17 C C17 N Y N 0 7.28 -2.248 -1.01
31 C18 C C18 N Y N 0 6.27 -3.163 -0.776
32 C19 C C19 N Y N 0 5.105 -2.761 -0.151
33 H1 H H1 N N N 0 -1.12 -0.226 1.402
34 H2 H H2 N N N 0 -0.15 2.086 1.246
35 H31 H 1H3 N N N 0 -3.175 1.805 0.978
36 H32 H 2H3 N N N 0 -2.353 3.277 1.551
37 H41 H 1H4 N N N 0 -3.041 1.949 3.486
38 H42 H 2H4 N N N 0 -2.233 0.507 2.825
39 H43 H 3H4 N N N 0 -1.267 1.905 3.356
40 H7 H H7 N N N 0 -4.241 -1.373 -1.374
41 H81 H 1H8 N N N 0 -5.992 -0.219 0.843
42 H82 H 2H8 N N N 0 -6.563 -1.315 -0.438
43 H101 H 1H10 N N N 0 4.039 0.361 -1.379
44 H102 H 2H10 N N N 0 2.337 0.718 -1.758
45 H121 H 1H12 N N N 0 -0.961 3.606 -0.493
46 H122 H 2H12 N N N 0 -0.208 2.189 -1.264
47 H123 H 3H12 N N N 0 -1.981 2.321 -1.182
48 HN3 H HN3 N N N 0 0.261 -0.13 -1.18
49 HO2 H HO2 N N N 0 3.753 4.83 -0.249
50 H13 H H13 N N N 0 -4.3 -1.974 1.497
51 H201 H 1H20 N N N 0 -5.994 -3.509 2.537
52 H202 H 2H20 N N N 0 -6.406 -1.789 2.733
53 H203 H 3H20 N N N 0 -7.245 -2.77 1.509
54 H211 H 1H21 N N N 0 -4.224 -3.149 -0.685
55 H212 H 2H21 N N N 0 -4.644 -4.272 0.631
56 H213 H 3H21 N N N 0 -5.911 -3.669 -0.463
57 HN1 H HN1 N N N 0 3.656 3.039 -1.491
58 H22 H H22 N N N 0 2.502 -1.54 -0.816
59 H231 H 1H23 N N N 0 3.868 -0.113 1.508
60 H232 H 2H23 N N N 0 3.311 -1.803 1.558
61 HN2 H HN2 N N N 0 -3.612 0.245 0.974
62 HO5 H HO5 N N N 0 -6.421 1.094 -3.012
63 H15 H H15 N N N 0 5.832 0.501 0.303
64 H16 H H16 N N N 0 7.911 -0.216 -0.804
65 H17 H H17 N N N 0 8.191 -2.563 -1.496
66 H18 H H18 N N N 0 6.393 -4.192 -1.08
67 H19 H H19 N N N 0 4.316 -3.476 0.032