Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : P01

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C10 N N N 0 -5.335 -0.694 -0.141
2 C11 C C11 N N N 0 -6.024 -1.248 -1.39
3 C12 C C12 N N N 0 -6.162 -1.049 1.097
4 C1A C C1A N Y N 0 1.881 -1.61 0.454
5 C2 C C2 N Y N 0 -1.192 1.044 -0.051
6 C22 C C22 R N N 0 0.528 2.814 -0.098
7 C23 C C23 N N N 0 1.132 2.727 -1.501
8 C25 C C25 N N N 0 0.608 4.257 0.403
9 C26 C C26 N N N 0 0.0050 4.344 1.806
10 C27 C C27 N N N 0 2.071 4.701 0.449
11 C2A C C2A N Y N 0 2.145 -0.478 1.215
12 C3A C C3A N Y N 0 3.445 -0.039 1.37
13 C4 C C4 N Y N 0 -2.809 -0.596 -0.0090
14 C4A C C4A N Y N 0 4.484 -0.724 0.767
15 C5 C C5 N Y N 0 -1.804 -1.568 0.125
16 C5A C C5A N Y N 0 4.225 -1.851 0.0070
17 C6 C C6 N Y N 0 -0.465 -1.141 0.165
18 C6A C C6A N Y N 0 2.926 -2.299 -0.146
19 C8 C C8 N Y N 0 -3.707 -2.608 0.103
20 CL1 CL CL1 N N N 0 5.532 -2.708 -0.748
21 H10 H H10 N N N 0 -5.25 0.389 -0.223
22 H111 H 1H11 N N N 0 -6.109 -2.331 -1.308
23 H112 H 2H11 N N N 0 -7.019 -0.811 -1.48
24 H113 H 3H11 N N N 0 -5.435 -0.995 -2.272
25 H121 H 1H12 N N N 0 -7.156 -0.612 1.007
26 H122 H 2H12 N N N 0 -6.246 -2.132 1.179
27 H123 H 3H12 N N N 0 -5.671 -0.654 1.987
28 H21 H H21 N N N 0 -1.577 3.049 -0.234
29 H22 H H22 N N N 0 1.084 2.163 0.578
30 H231 H 1H23 N N N 0 2.196 2.957 -1.454
31 H232 H 2H23 N N N 0 0.995 1.719 -1.894
32 H24 H H24 N N N 0 0.888 3.577 -3.231
33 H25 H H25 N N N 0 0.052 4.907 -0.272
34 H261 H 1H26 N N N 0 0.062 5.372 2.163
35 H262 H 2H26 N N N 0 -1.038 4.028 1.774
36 H263 H 3H26 N N N 0 0.561 3.694 2.482
37 H271 H 1H27 N N N 0 2.628 4.051 1.124
38 H272 H 2H27 N N N 0 2.501 4.639 -0.551
39 H273 H 3H27 N N N 0 2.128 5.729 0.805
40 H2A H H2A N N N 0 1.334 0.058 1.686
41 H3A H H3A N N N 0 3.651 0.841 1.961
42 H4A H H4A N N N 0 5.5 -0.379 0.889
43 H6A H H6A N N N 0 2.724 -3.179 -0.739
44 H8 H H8 N N N 0 -4.438 -3.403 0.126
45 HN6 H HN6 N N N 0 0.375 -3.007 0.279
46 N1 N N1 N Y N 0 -0.211 0.16 0.074
47 N21 N N21 N N N 0 -0.873 2.389 -0.142
48 N3 N N3 N Y N 0 -2.465 0.685 -0.088
49 N6 N N6 N N N 0 0.565 -2.056 0.296
50 N7 N N7 N Y N 0 -2.42 -2.774 0.188
51 N9 N N9 N Y N 0 -3.998 -1.281 -0.02
52 O24 O O24 N N N 0 0.479 3.664 -2.359