Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B4P

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 81


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1E C AC1* R N N 0 8.933 -0.962 -0.36
2 C1F C BC1* R N N 0 -8.975 0.987 -0.375
3 C2A C AC2 N Y N 0 12.901 0.864 -1.391
4 C2B C BC2 N Y N 0 -12.872 -1.131 -1.06
5 C2E C AC2* R N N 0 9.306 -1.843 0.853
6 C2F C BC2* R N N 0 -9.178 1.698 0.987
7 C3E C AC3* S N N 0 8.044 -2.705 1.092
8 C3F C BC3* S N N 0 -8.156 2.862 0.902
9 C4A C AC4 N Y N 0 10.751 0.784 -0.582
10 C4B C BC4 N Y N 0 -10.646 -0.907 -0.535
11 C4E C AC4* R N N 0 7.061 -2.245 -0.0070
12 C4F C BC4* R N N 0 -7.15 2.398 -0.171
13 C5A C AC5 N Y N 0 10.842 2.143 -0.237
14 C5B C BC5 N Y N 0 -10.564 -2.297 -0.34
15 C5E C AC5* N N N 0 5.629 -2.224 0.531
16 C5F C BC5* N N N 0 -5.742 2.343 0.426
17 C6A C AC6 N Y N 0 12.04 2.82 -0.52
18 C6B C BC6 N Y N 0 -11.727 -3.063 -0.527
19 C8A C AC8 N Y N 0 8.864 1.462 0.335
20 C8B C BC8 N Y N 0 -8.593 -1.473 0.038
21 H1E H AH1* N N N 0 9.288 -1.418 -1.284
22 H1F H BH1* N N N 0 -9.523 1.503 -1.163
23 H2A H AH2 N N N 0 13.732 0.352 -1.853
24 H2B H BH2 N N N 0 -13.803 -0.665 -1.35
25 H2E H AH2* N N N 0 9.515 -1.223 1.724
26 H2F H BH2* N N N 0 -8.939 1.029 1.814
27 H3E H AH3* N N N 0 7.629 -2.512 2.081
28 H3F H BH3* N N N 0 -7.654 3.0 1.86
29 H4E H AH4* N N N 0 7.13 -2.899 -0.876
30 H4F H BH4* N N N 0 -7.168 3.085 -1.017
31 H51A H AH51 N N N 0 5.361 -3.217 0.89
32 H51B H BH51 N N N 0 -5.707 1.581 1.204
33 H52A H AH52 N N N 0 5.559 -1.509 1.351
34 H52B H BH52 N N N 0 -5.491 3.313 0.855
35 H61A H AH61 N N N 0 13.02 4.616 -0.403
36 H61B H BH61 N N N 0 -10.885 -4.878 -0.083
37 H62A H AH62 N N N 0 11.455 4.645 0.205
38 H62B H BH62 N N N 0 -12.517 -4.952 -0.476
39 H8A H AH8 N N N 0 7.857 1.461 0.725
40 H8B H BH8 N N N 0 -7.545 -1.406 0.287
41 HO2A H AHO2 N N N 0 10.574 -3.24 1.32
42 HO2B H BHO2 N N N 0 -10.571 2.627 1.972
43 HO3A H AHO3 N N N 0 8.964 -4.323 1.651
44 HO3B H BHO3 N N N 0 -9.461 4.273 1.179
45 HOA2 H 2HOA N N N 0 2.876 -3.87 -0.266
46 HOB2 H 2HOB N N N 0 -0.188 -2.58 -0.482
47 HOD2 H 2HOD N N N 0 -2.961 4.031 -0.154
48 HOG2 H 2HOG N N N 0 0.112 2.752 -0.316
49 N1A N AN1 N Y N 0 13.032 2.143 -1.09
50 N1B N BN1 N Y N 0 -12.845 -2.44 -0.883
51 N3A N AN3 N Y N 0 11.796 0.19 -1.15
52 N3B N BN3 N Y N 0 -11.808 -0.374 -0.897
53 N6A N AN6 N N N 0 12.187 4.161 -0.207
54 N6B N BN6 N N N 0 -11.708 -4.434 -0.344
55 N7A N AN7 N Y N 0 9.656 2.495 0.314
56 N7B N BN7 N Y N 0 -9.285 -2.575 0.011
57 N9A N AN9 N Y N 0 9.495 0.382 -0.206
58 N9B N BN9 N Y N 0 -9.388 -0.417 -0.295
59 O1A O O1A N N N 0 3.228 -0.965 1.315
60 O1B O O1B N N N 0 1.312 -0.024 1.028
61 O1D O O1D N N N 0 -3.376 1.037 1.235
62 O1G O O1G N N N 0 -1.448 0.112 0.973
63 O2A O O2A N N N 0 2.848 -3.337 0.54
64 O2B O O2B N N N 0 0.062 -2.098 0.318
65 O2D O O2D N N N 0 -2.966 3.451 0.619
66 O2E O AO2* N N N 0 10.429 -2.673 0.55
67 O2F O BO2* N N N 0 -10.511 2.199 1.107
68 O2G O O2G N N N 0 -0.171 2.224 0.443
69 O3A O O3A N N N 0 2.204 -1.283 -0.97
70 O3B O O3B N N N 0 -0.023 0.107 -1.11
71 O3E O AO3* N N N 0 8.349 -4.093 0.941
72 O3F O BO3* N N N 0 -8.805 4.069 0.499
73 O3G O O3G N N N 0 -2.256 1.49 -0.981
74 O4E O AO4* N N N 0 7.489 -0.908 -0.349
75 O4F O BO4* N N N 0 -7.552 1.086 -0.598
76 O5E O AO5* N N N 0 4.733 -1.837 -0.514
77 O5F O BO5* N N N 0 -4.803 2.019 -0.601
78 PA P PA S N N 0 3.253 -1.837 0.119
79 PB P PB S N N 0 0.898 -0.807 -0.157
80 PD P PD S N N 0 -3.351 1.979 0.093
81 PG P PG S N N 0 -0.985 0.965 -0.144