Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : NHD

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 70


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 PA P AP R N N 0 -0.966 -0.971 0.838
2 O1A O AO1 N N N 0 -0.36 -0.511 2.107
3 O2A O AO2 N N N 0 -1.677 -2.397 1.069
4 O5B O AO5* N N N 0 -2.062 0.101 0.347
5 C5B C AC5* N N N 0 -2.983 0.274 1.425
6 C4B C AC4* R N N 0 -4.057 1.287 1.022
7 O4B O AO4* N N N 0 -4.867 0.745 -0.035
8 C3B C AC3* S N N 0 -4.987 1.569 2.217
9 O3B O AO3* N N N 0 -4.952 2.953 2.571
10 C2B C AC2* R N N 0 -6.396 1.177 1.7
11 O2B O AO2* N N N 0 -7.378 2.118 2.135
12 C1B C AC1* R N N 0 -6.207 1.245 0.163
13 N9A N AN9 N Y N 0 -7.183 0.39 -0.518
14 C8A C AC8 N Y N 0 -7.011 -0.92 -0.854
15 N7A N AN7 N Y N 0 -8.078 -1.371 -1.447
16 C5A C AC5 N Y N 0 -9.0 -0.382 -1.53
17 C6A C AC6 N Y N 0 -10.299 -0.285 -2.051
18 O6A O AO6 N N N 0 -10.893 -1.353 -2.635
19 N1A N AN1 N Y N 0 -10.933 0.878 -1.958
20 C2A C AC2 N Y N 0 -10.363 1.925 -1.389
21 N3A N AN3 N Y N 0 -9.147 1.881 -0.887
22 C4A C AC4 N Y N 0 -8.438 0.759 -0.93
23 O3 O O3 N N N 0 0.181 -1.118 -0.282
24 PN P NP N N N 0 1.42 -1.871 0.417
25 O1N O NO1 N N N 0 1.14 -3.39 0.463
26 O2N O NO2 N N N -1 1.602 -1.338 1.855
27 O5D O NO5* N N N 0 2.761 -1.598 -0.431
28 C5D C NC5* N N N 0 3.839 -2.19 0.299
29 C4D C NC4* R N N 0 5.15 -1.965 -0.456
30 O4D O NO4* N N N 0 5.483 -0.56 -0.479
31 C3D C NC3* S N N 0 6.325 -2.637 0.289
32 C1D C NC1* R N N 0 6.901 -0.509 -0.747
33 O3D O NO3* N N N 0 6.625 -3.907 -0.291
34 C2D C NC2* R N N 0 7.505 -1.657 0.091
35 O2D O NO2* N N N 0 8.572 -2.294 -0.615
36 N1N N NN1 N Y N 1 7.454 0.779 -0.322
37 C2N C NC2 N Y N 0 8.397 1.342 -1.05
38 C3N C NC3 N Y N 0 8.951 2.565 -0.671
39 C7N C NC7 N N N 0 10.015 3.192 -1.483
40 O7N O NO7 N N N 0 10.417 2.64 -2.489
41 N7N N NN7 N N N 0 10.538 4.377 -1.11
42 C4N C NC4 N Y N 0 8.479 3.19 0.49
43 H51A H AH51 N N N 0 -3.454 -0.681 1.658
44 C5N C NC5 N Y N 0 7.483 2.561 1.215
45 C6N C NC6 N Y N 0 6.99 1.345 0.775
46 HOA2 H 2HOA N N N 0 -2.057 -2.661 0.22
47 H52A H AH52 N N N 0 -2.45 0.64 2.303
48 H4B H AH4* N N N 0 -3.587 2.213 0.69
49 H3B H AH3* N N N 0 -4.708 0.951 3.071
50 HO3A H AHO3 N N N 0 -5.596 3.077 3.281
51 H2B H AH2* N N N 0 -6.66 0.167 2.015
52 HO2A H AHO2 N N N 0 -7.448 2.026 3.095
53 H1B H AH1* N N N 0 -6.289 2.273 -0.189
54 H8A H AH8 N N N 0 -6.121 -1.499 -0.657
55 H6A H AH6 N N N 0 -11.363 -1.828 -1.937
56 H2A H AH2 N N N 0 -10.915 2.851 -1.335
57 H51N H NH51 N N N 0 3.66 -3.259 0.407
58 H52N H NH52 N N N 0 3.904 -1.731 1.285
59 H4D H NH4* N N N 0 5.074 -2.354 -1.472
60 H3D H NH3* N N N 0 6.092 -2.747 1.348
61 HO3N H NHO3 N N N 0 7.362 -4.278 0.213
62 H2D H NH2* N N N 0 7.856 -1.282 1.053
63 HO2N H NHO2 N N N 0 8.865 -3.036 -0.069
64 H1D H NH1* N N N 0 7.093 -0.672 -1.808
65 H2N H NH2 N N N 0 8.752 0.847 -1.942
66 H71N H NH71 N N N 0 11.236 4.789 -1.643
67 H72N H NH72 N N N 0 10.214 4.819 -0.309
68 H4N H NH4 N N N 0 8.883 4.139 0.811
69 H5N H NH5 N N N 0 7.095 3.013 2.115
70 H6N H NH6 N N N 0 6.212 0.852 1.339