Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : HAL

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 62


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CP1 C CP1 N Y N 0 -7.388 1.613 0.01
2 CP2 C CP2 N Y N 0 -7.814 2.048 1.251
3 CP3 C CP3 N Y N 0 -9.086 1.736 1.694
4 CP4 C CP4 N Y N 0 -9.933 0.991 0.895
5 CP5 C CP5 N Y N 0 -9.507 0.557 -0.347
6 CP6 C CP6 N Y N 0 -8.237 0.872 -0.791
7 C1 C C1 N N N 0 -6.001 1.952 -0.472
8 C2 C C2 N N N 0 -5.028 0.855 -0.038
9 N1 N N1 N N N 0 -3.679 1.185 -0.507
10 C3 C C3 N N N 0 -2.651 0.356 -0.239
11 O1 O O1 N N N 0 -2.842 -0.663 0.391
12 C4 C C4 N N N 0 -1.264 0.695 -0.721
13 O2 O O2 N N N 0 -0.355 -0.33 -0.315
14 P P P R N N 0 1.099 0.096 -0.861
15 O3 O O3 N N N 0 1.431 1.453 -0.374
16 O4 O O4 N N N 0 1.09 0.09 -2.471
17 C5 C C5 S N N 0 2.345 -1.089 -0.256
18 C6 C C6 N N N 0 1.935 -2.509 -0.654
19 CR1 C CR1 N Y N 0 0.596 -2.834 -0.045
20 CR2 C CR2 N Y N 0 -0.566 -2.552 -0.739
21 CR3 C CR3 N Y N 0 -1.794 -2.85 -0.18
22 CR4 C CR4 N Y N 0 -1.861 -3.431 1.072
23 CR5 C CR5 N Y N 0 -0.7 -3.714 1.766
24 CR6 C CR6 N Y N 0 0.529 -3.419 1.205
25 N2 N N2 N N N 0 3.648 -0.773 -0.848
26 C7 C C7 N N N 0 4.599 -0.176 -0.104
27 O5 O O5 N N N 0 4.377 0.1 1.056
28 C8 C C8 N N N 0 5.939 0.15 -0.713
29 C9 C C9 N N N 0 6.828 0.818 0.337
30 C10 C C10 N N N 0 8.188 1.149 -0.281
31 C11 C C11 N N N 0 9.063 1.807 0.754
32 O6 O O6 N N N 0 10.31 2.187 0.434
33 O7 O O7 N N N 0 8.643 1.993 1.871
34 HP2 H HP2 N N N 0 -7.153 2.63 1.875
35 HP3 H HP3 N N N 0 -9.419 2.076 2.664
36 HP4 H HP4 N N N 0 -10.926 0.747 1.241
37 HP5 H HP5 N N N 0 -10.168 -0.026 -0.971
38 HP6 H HP6 N N N 0 -7.904 0.532 -1.761
39 HC11 H 1HC1 N N N 0 -5.69 2.905 -0.043
40 HC12 H 2HC1 N N N 0 -6.003 2.027 -1.56
41 HC21 H 1HC2 N N N 0 -5.339 -0.098 -0.467
42 HC22 H 2HC2 N N N 0 -5.026 0.78 1.05
43 HN1 H HN1 N N N 0 -3.527 2.0 -1.01
44 HC41 H 1HC4 N N N 0 -0.953 1.648 -0.292
45 HC42 H 2HC4 N N N 0 -1.266 0.77 -1.808
46 HO4 H HO4 N N N 0 0.87 -0.81 -2.746
47 HC5 H HC5 N N N 0 2.414 -1.022 0.83
48 HC61 H 1HC6 N N N 0 1.867 -2.576 -1.74
49 HC62 H 2HC6 N N N 0 2.681 -3.217 -0.293
50 HR2 H HR2 N N N 0 -0.513 -2.098 -1.718
51 HR3 H HR3 N N N 0 -2.702 -2.63 -0.722
52 HR4 H HR4 N N N 0 -2.821 -3.664 1.509
53 HR5 H HR5 N N N 0 -0.752 -4.167 2.745
54 HR6 H HR6 N N N 0 1.437 -3.64 1.747
55 HN2 H HN2 N N N 0 3.825 -0.993 -1.776
56 HC92 H 2HC9 N N N 0 6.353 1.737 0.684
57 HC81 H 1HC8 N N N 0 5.8 0.827 -1.556
58 HC82 H 2HC8 N N N 0 6.413 -0.768 -1.059
59 HC91 H 1HC9 N N N 0 6.967 0.141 1.18
60 H101 H 1H10 N N N 0 8.049 1.826 -1.124
61 H102 H 2H10 N N N 0 8.662 0.231 -0.627
62 HO6 H HO6 N N N 0 10.872 2.61 1.098