Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BCB

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 138


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 MG MG MG N N N 0 6.604 0.22 -0.07
2 CHA C CHA N N N 0 4.043 -1.612 0.607
3 CHB C CHB N N N 0 4.73 2.742 -0.181
4 CHC C CHC N N N 0 9.114 2.033 -0.712
5 CHD C CHD N N N 0 8.512 -2.326 0.079
6 NA N N A S N N 1 4.779 0.352 -0.604
7 C1A C C1A N N N 0 3.847 -0.565 -0.299
8 C2A C C2A S N N 0 2.575 -0.134 -0.988
9 C3A C C3A S N N 0 2.913 1.32 -1.432
10 C4A C C4A N N N 0 4.213 1.565 -0.696
11 CMA C CMA N N N 0 3.117 1.398 -2.947
12 CAA C CAA N N N 0 1.396 -0.145 -0.012
13 CBA C CBA N N N 0 0.105 0.174 -0.768
14 CGA C CGA N N N 0 -1.055 0.163 0.193
15 O1A O O1A N N N 0 -0.869 -0.075 1.363
16 O2A O O2A N N N 0 -2.296 0.419 -0.25
17 NB N N B N Y N 0 6.964 2.023 0.377
18 C1B C C1B N Y N 0 5.98 3.001 0.398
19 C2B C C2B N Y N 0 6.643 4.056 0.989
20 C3B C C3B N Y N 0 8.04 3.816 0.872
21 C4B C C4B N Y N 0 8.186 2.618 0.154
22 CMB C CMB N N N 0 6.001 5.253 1.642
23 CAB C CAB N N N 0 9.118 4.656 1.398
24 OBB O OBB N N N 0 9.522 5.601 0.752
25 CBB C CBB N N N 0 9.726 4.348 2.742
26 NC N N C S N N 1 8.192 -0.17 -1.049
27 C1C C C1C N N N 0 9.076 0.781 -1.318
28 C2C C C2C R N N 0 9.988 0.116 -2.323
29 C3C C C3C N N N 0 9.901 -1.358 -1.9
30 C4C C C4C N N N 0 8.8 -1.364 -0.909
31 CMC C CMC N N N 0 9.464 0.308 -3.748
32 CAC C CAC N N N 0 10.635 -2.382 -2.322
33 CBC C CBC N N N 0 11.717 -2.16 -3.347
34 ND N N D R N N 0 6.533 -1.361 0.969
35 C1D C C1D N N N 0 7.448 -2.382 0.983
36 C2D C C2D N N N 0 6.85 -3.313 1.828
37 C3D C C3D N N N 0 5.462 -3.09 1.865
38 C4D C C4D N N N 0 5.304 -1.904 1.166
39 CMD C CMD N N N 0 7.578 -4.393 2.586
40 CAD C CAD N N N 0 4.081 -3.483 2.159
41 OBD O OBD N N N 0 3.727 -4.325 2.957
42 CBD C CBD R N N 0 3.168 -2.631 1.271
43 CGD C CGD N N N 0 2.505 -3.498 0.232
44 O1D O O1D N N N 0 2.721 -3.307 -0.941
45 O2D O O2D N N N 0 1.673 -4.482 0.61
46 CED C CED N N N 0 1.07 -5.276 -0.445
47 C1 C C1 N N N 0 -3.366 0.392 0.732
48 C2 C C2 N N N 0 -4.677 0.699 0.056
49 C3 C C3 N N N 0 -5.52 1.535 0.61
50 C4 C C4 N N N 0 -5.238 2.09 1.983
51 C5 C C5 N N N 0 -6.771 1.941 -0.124
52 C6 C C6 N N N 0 -7.933 1.048 0.315
53 C7 C C7 N N N 0 -9.204 1.461 -0.431
54 C8 C C8 R N N 0 -10.366 0.567 0.009
55 C9 C C9 N N N 0 -10.092 -0.874 -0.424
56 C10 C C10 N N N 0 -11.661 1.059 -0.642
57 C11 C C11 N N N 0 -12.841 0.245 -0.107
58 C12 C C12 N N N 0 -14.135 0.736 -0.757
59 C13 C C13 R N N 0 -15.315 -0.078 -0.222
60 C14 C C14 N N N 0 -15.17 -1.536 -0.661
61 C15 C C15 N N N 0 -16.622 0.494 -0.776
62 C16 C C16 N N N 0 -17.808 -0.239 -0.145
63 C17 C C17 N N N 0 -19.114 0.332 -0.699
64 C18 C C18 N N N 0 -20.3 -0.401 -0.068
65 C19 C C19 N N N 0 -20.336 -0.112 1.435
66 C20 C C20 N N N 0 -21.6 0.083 -0.712
67 HHB H HHB N N N 0 4.067 3.593 -0.234
68 HHC H HHC N N N 0 9.98 2.636 -0.942
69 HHD H HHD N N N 0 9.217 -3.142 0.147
70 H2A H H2A N N N 0 2.369 -0.766 -1.853
71 H3A H H3A N N N 0 2.141 2.018 -1.107
72 HMA1 H HMA1 N N N 0 2.205 1.082 -3.453
73 HMA2 H HMA2 N N N 0 3.351 2.425 -3.229
74 HMA3 H HMA3 N N N 0 3.939 0.745 -3.237
75 HAA1 H HAA1 N N N 0 1.314 -1.13 0.447
76 HAA2 H HAA2 N N N 0 1.559 0.605 0.762
77 HBA1 H HBA1 N N N 0 0.187 1.159 -1.228
78 HBA2 H HBA2 N N N 0 -0.058 -0.575 -1.542
79 HMB1 H HMB1 N N N 0 5.757 5.014 2.677
80 HMB2 H HMB2 N N N 0 6.693 6.095 1.617
81 HMB3 H HMB3 N N N 0 5.09 5.515 1.105
82 HBB1 H HBB1 N N N 0 10.62 3.738 2.605
83 HBB2 H HBB2 N N N 0 9.995 5.279 3.242
84 HBB3 H HBB3 N N N 0 9.005 3.803 3.351
85 HMC1 H HMC1 N N N 0 9.41 1.373 -3.975
86 HMC2 H HMC2 N N N 0 10.138 -0.179 -4.452
87 HMC3 H HMC3 N N N 0 8.47 -0.132 -3.832
88 HAC1 H HAC1 N N N 0 10.458 -3.372 -1.929
89 H2C H H2C N N N 0 11.008 0.489 -2.231
90 HBC1 H HBC1 N N N 0 12.208 -3.108 -3.567
91 HBC2 H HBC2 N N N 0 11.276 -1.759 -4.26
92 HBC3 H HBC3 N N N 0 12.45 -1.454 -2.956
93 HMD1 H HMD1 N N N 0 7.878 -4.013 3.562
94 HMD2 H HMD2 N N N 0 6.919 -5.252 2.717
95 HMD3 H HMD3 N N N 0 8.463 -4.696 2.027
96 HBD H HBD N N N 0 2.413 -2.135 1.881
97 HED1 H HED1 N N N 0 0.422 -6.034 -0.004
98 HED2 H HED2 N N N 0 0.482 -4.629 -1.096
99 HED3 H HED3 N N N 0 1.853 -5.762 -1.027
100 H11 H H11 N N N 0 -3.415 -0.597 1.188
101 H12 H H12 N N N 0 -3.171 1.137 1.503
102 H2 H H2 N N N 0 -4.922 0.231 -0.886
103 H41 H H41 N N N 0 -4.591 2.963 1.896
104 H42 H H42 N N N 0 -6.175 2.378 2.458
105 H43 H H43 N N N 0 -4.743 1.33 2.587
106 H51 H H51 N N N 0 -7.005 2.981 0.105
107 H52 H H52 N N N 0 -6.614 1.832 -1.197
108 H61 H H61 N N N 0 -7.699 0.008 0.086
109 H62 H H62 N N N 0 -8.09 1.158 1.388
110 H71 H H71 N N N 0 -9.438 2.5 -0.202
111 H72 H H72 N N N 0 -9.047 1.351 -1.504
112 H8 H H8 N N N 0 -10.466 0.609 1.093
113 H91 H H91 N N N 0 -10.92 -1.511 -0.111
114 H92 H H92 N N N 0 -9.993 -0.915 -1.509
115 H93 H H93 N N N 0 -9.17 -1.224 0.039
116 H101 H H101 N N N 0 -11.809 2.112 -0.406
117 H121 H H121 N N N 0 -14.284 1.79 -0.521
118 H102 H H102 N N N 0 -11.594 0.934 -1.723
119 H111 H H111 N N N 0 -12.692 -0.809 -0.343
120 H112 H H112 N N N 0 -12.907 0.369 0.974
121 H122 H H122 N N N 0 -14.069 0.612 -1.838
122 H13 H H13 N N N 0 -15.329 -0.025 0.867
123 H141 H H141 N N N 0 -16.011 -2.116 -0.279
124 H142 H H142 N N N 0 -15.156 -1.589 -1.749
125 H143 H H143 N N N 0 -14.239 -1.943 -0.266
126 H151 H H151 N N N 0 -16.684 1.556 -0.539
127 H152 H H152 N N N 0 -16.647 0.361 -1.858
128 H161 H H161 N N N 0 -17.746 -1.301 -0.382
129 H171 H H171 N N N 0 -19.176 1.394 -0.462
130 H162 H H162 N N N 0 -17.783 -0.106 0.937
131 H172 H H172 N N N 0 -19.139 0.199 -1.78
132 H18 H H18 N N N 0 -20.191 -1.473 -0.229
133 H191 H H191 N N N 0 -20.445 0.961 1.596
134 H202 H H202 N N N 0 -22.445 -0.439 -0.262
135 H192 H H192 N N N 0 -21.181 -0.634 1.884
136 H193 H H193 N N N 0 -19.41 -0.456 1.894
137 H201 H H201 N N N 0 -21.574 -0.123 -1.782
138 H203 H H203 N N N 0 -21.708 1.156 -0.551