Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ACV

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -1.006 0.068 -7.366
2 C2 C C2 S N N 0 -0.444 -0.568 -6.122
3 C3 C C3 N N N 0 -0.67 0.359 -4.927
4 C4 C C4 N N N 0 -0.099 -0.287 -3.663
5 C7 C C7 N N N 0 -0.325 0.641 -2.468
6 C10 C C10 N N N 0 0.237 0.004 -1.224
7 N11 N N11 N N N 0 0.152 0.645 -0.041
8 C12 C C12 R N N 0 0.699 0.026 1.168
9 N14 N N14 N N N 0 0.995 -0.799 -6.298
10 C13 C C13 N N N 0 -0.094 0.478 2.366
11 O15 O O15 N N N 0 0.767 -1.084 -1.286
12 C16 C C16 N N N 0 2.161 0.443 1.338
13 S17 S S17 N N N 0 3.117 -0.1 -0.104
14 O18 O O18 N N N 0 -1.025 1.242 2.224
15 O19 O O19 N N N 0 -2.282 -0.158 -7.718
16 O20 O O20 N N N 0 -0.309 0.782 -8.047
17 N29 N N29 N N N 0 0.229 0.033 3.596
18 C30 C C30 R N N 0 -0.542 0.472 4.761
19 C31 C C31 N N N 0 -1.686 -0.479 4.994
20 C32 C C32 N N N 0 0.363 0.493 5.995
21 C33 C C33 N N N 0 -0.442 0.952 7.211
22 C37 C C37 N N N 0 0.912 -0.912 6.247
23 O42 O O42 N N N 0 -2.713 -0.08 5.491
24 O43 O O43 N N N 0 -1.565 -1.771 4.649
25 H2 H H2 N N N 0 -0.945 -1.52 -5.942
26 H42 H 2H4 N N N 0 -0.599 -1.238 -3.484
27 H31 H 1H3 N N N 0 -1.738 0.53 -4.796
28 H32A H 2H3 N N N 0 -0.169 1.311 -5.106
29 H41 H 1H4 N N N 0 0.969 -0.457 -3.794
30 H71 H 1H7 N N N 0 -1.393 0.812 -2.338
31 H72 H 2H7 N N N 0 0.175 1.592 -2.648
32 HNB H HNB N N N 0 -0.271 1.516 0.008
33 H12 H H12 N N N 0 0.638 -1.058 1.08
34 HNE1 H 1HNE N N N 0 1.416 0.103 -6.46
35 HNE2 H 2HNE N N N 0 1.347 -1.127 -5.411
36 H161 H 1H16 N N N 0 2.221 1.528 1.426
37 H162 H 2H16 N N N 0 2.568 -0.017 2.238
38 HS7 H HS7 N N N 0 4.336 0.352 0.238
39 HOJ H HOJ N N N 0 -2.643 0.25 -8.517
40 HNT H HNT N N N 0 0.974 -0.577 3.71
41 H30 H H30 N N N 0 -0.933 1.474 4.581
42 H32 H H32 N N N 0 1.191 1.182 5.826
43 H331 H 1H33 N N N 0 0.202 0.966 8.09
44 H332 H 2H33 N N N 0 -0.834 1.953 7.031
45 H333 H 3H33 N N N 0 -1.27 0.263 7.38
46 H371 H 1H37 N N N 0 0.084 -1.601 6.416
47 H372 H 2H37 N N N 0 1.486 -1.239 5.38
48 H373 H 3H37 N N N 0 1.557 -0.897 7.126
49 HO H HO N N N 0 -2.3 -2.382 4.798