Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : J54

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 31


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O02 O O02 N N N 0 -5.765 -0.746 0.317
2 C06 C C06 N N N 0 -4.976 -0.08 -0.311
3 C05 C C05 R N N 0 -3.571 -0.58 -0.526
4 O18 O O18 N N N 0 -3.45 -1.902 0.001
5 C04 C C04 N N N 0 -2.585 0.346 0.189
6 N02 N N02 N N N 0 -1.214 -0.069 -0.118
7 C03 C C03 N N N 0 -0.172 0.606 0.406
8 O01 O O01 N N N 0 -0.369 1.56 1.134
9 N01 N N01 N N N 0 1.089 0.224 0.123
10 C02 C C02 N N N 0 2.222 0.957 0.693
11 C01 C C01 N Y N 0 3.511 0.333 0.226
12 CE1 C CE1 N Y N 0 4.11 0.774 -0.94
13 CD1 C CD1 N Y N 0 5.293 0.201 -1.369
14 CG C CG N Y N 0 5.877 -0.813 -0.632
15 CD2 C CD2 N Y N 0 5.279 -1.253 0.534
16 CE2 C CE2 N Y N 0 4.099 -0.677 0.965
17 OXT O OXT N N Y 0 -5.353 1.103 -0.82
18 H05 H H05 N N N 0 -3.349 -0.592 -1.593
19 HOT H HOT N N N 0 -6.266 1.38 -0.659
20 H18 H H18 N N N 0 -3.633 -1.967 0.948
21 H041 H 1H04 N N N 0 -2.738 1.371 -0.149
22 H042 H 2H04 N N N 0 -2.749 0.29 1.265
23 H02 H H02 N N N 0 -1.056 -0.83 -0.698
24 H01 H H01 N N N 0 1.247 -0.537 -0.457
25 H021 H 1H02 N N N 0 2.183 1.997 0.367
26 H022 H 2H02 N N N 0 2.172 0.916 1.781
27 HE1 H HE1 N N N 0 3.654 1.565 -1.516
28 HE2 H HE2 N N N 0 3.633 -1.018 1.878
29 HD1 H HD1 N N N 0 5.76 0.544 -2.28
30 HG H HG N N N 0 6.801 -1.261 -0.968
31 HD2 H HD2 N N N 0 5.735 -2.044 1.109