Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DPG

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 155


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -0.045 4.165 0.068
2 C2 C C2 R N N 0 -0.714 3.854 -1.272
3 C3 C C3 N N N 0 -2.153 3.394 -1.029
4 C4 C C4 N N N 0 -5.136 0.143 1.063
5 C5 C C5 S N N 0 -5.272 -1.112 1.926
6 C6 C C6 N N N 0 -6.753 -1.461 2.089
7 C11 C C11 N N N 0 0.594 3.343 2.112
8 C12 C C12 N N N 0 0.633 2.123 3.034
9 C13 C C13 S N N 0 1.312 2.501 4.352
10 C14 C C14 N N N 0 0.524 3.625 5.028
11 C15 C C15 N N N 0 1.351 1.28 5.274
12 C16 C C16 N N N 0 2.03 1.659 6.592
13 C17 C C17 N N N 0 2.07 0.438 7.514
14 C18 C C18 R N N 0 2.748 0.816 8.832
15 C19 C C19 N N N 0 4.176 1.291 8.553
16 C20 C C20 N N N 0 2.788 -0.403 9.754
17 C21 C C21 N N N 0 3.467 -0.025 11.072
18 C22 C C22 N N N 0 3.506 -1.245 11.994
19 C23 C C23 S N N 0 4.185 -0.867 13.312
20 C24 C C24 N N N 0 3.397 0.256 13.987
21 C25 C C25 N N N 0 4.224 -2.088 14.234
22 C29 C C29 N N N 0 5.661 -3.772 18.714
23 C26 C C26 N N N 0 4.903 -1.71 15.552
24 C27 C C27 N N N 0 4.942 -2.93 16.474
25 C28 C C28 N N N 0 5.621 -2.552 17.792
26 C30 C C30 N N N 0 7.049 -2.077 17.512
27 C41 C C41 N N N 0 -0.149 3.036 -3.34
28 C42 C C42 N N N 0 0.607 1.955 -4.114
29 C43 C C43 S N N 0 0.435 2.19 -5.616
30 C44 C C44 N N N 0 0.993 3.566 -5.985
31 C45 C C45 N N N 0 1.192 1.108 -6.391
32 C46 C C46 N N N 0 1.02 1.343 -7.893
33 C47 C C47 N N N 0 1.777 0.262 -8.667
34 C48 C C48 R N N 0 1.605 0.496 -10.17
35 C49 C C49 N N N 0 0.119 0.435 -10.529
36 C50 C C50 N N N 0 2.362 -0.584 -10.944
37 C51 C C51 N N N 0 2.19 -0.35 -12.446
38 C52 C C52 N N N 0 2.947 -1.431 -13.221
39 C53 C C53 S N N 0 2.775 -1.197 -14.723
40 C54 C C54 N N N 0 3.333 0.178 -15.091
41 C55 C C55 N N N 0 3.532 -2.278 -15.497
42 C56 C C56 N N N 0 3.36 -2.044 -16.999
43 C60 C C60 N N N 0 2.46 -2.951 -19.635
44 C57 C C57 N N N 0 4.117 -3.125 -17.774
45 C58 C C58 N N N 0 3.946 -2.89 -19.276
46 C59 C C59 N N N 0 4.702 -3.971 -20.05
47 O1 O O1 N N N 0 -0.039 2.99 0.881
48 O2 O O2 N N N 0 0.01 2.817 -1.937
49 O3 O O3 N N N 0 -2.147 2.219 -0.215
50 O4 O O4 N N N 0 -4.309 1.519 -1.316
51 O5 O O5 N N N 0 -4.477 2.99 0.728
52 O6 O O6 N N N 0 -3.753 0.469 0.911
53 O7 O O7 N N N 0 -4.694 -0.873 3.211
54 O8 O O8 N N N 0 -6.88 -2.634 2.895
55 O9 O O9 N N N 0 -9.027 -3.164 1.678
56 O10 O O10 N N N 0 -8.672 -4.259 3.925
57 O11 O O11 N N N 0 -9.19 -1.689 3.72
58 P1 P P1 R N N 0 -3.685 1.793 -0.002
59 P2 P P2 N N N 0 -8.455 -2.941 3.025
60 H11 H 1H1 N N N 0 -0.599 4.955 0.575
61 H12 H 2H1 N N N 0 0.979 4.492 -0.104
62 H2 H H2 N N N 0 -0.719 4.75 -1.892
63 H31 H 1H3 N N N 0 -2.707 4.184 -0.522
64 H32 H 2H3 N N N 0 -2.63 3.172 -1.984
65 H41 H 1H4 N N N 0 -5.654 0.973 1.546
66 H42 H 2H4 N N N 0 -5.577 -0.038 0.083
67 H5 H H5 N N N 0 -4.755 -1.942 1.444
68 H61 H 1H6 N N N 0 -7.27 -0.631 2.571
69 H62 H 2H6 N N N 0 -7.194 -1.644 1.109
70 H111 H 1H11 N N N 0 0.032 4.144 2.594
71 H112 H 2H11 N N N 0 1.611 3.681 1.913
72 H121 H 1H12 N N N 0 1.195 1.322 2.553
73 H122 H 2H12 N N N 0 -0.383 1.785 3.233
74 H13 H H13 N N N 0 2.329 2.839 4.153
75 H141 H 1H14 N N N 0 -0.492 3.287 5.227
76 H142 H 2H14 N N N 0 1.007 3.894 5.967
77 H143 H 3H14 N N N 0 0.496 4.494 4.371
78 H151 H 1H15 N N N 0 1.913 0.48 4.793
79 H152 H 2H15 N N N 0 0.334 0.942 5.473
80 H161 H 1H16 N N N 0 1.469 2.459 7.073
81 H162 H 2H16 N N N 0 3.047 1.997 6.393
82 H171 H 1H17 N N N 0 2.631 -0.362 7.033
83 H172 H 2H17 N N N 0 1.053 0.1 7.713
84 H18 H H18 N N N 0 2.187 1.617 9.313
85 H191 H 1H19 N N N 0 4.737 0.49 8.072
86 H192 H 2H19 N N N 0 4.148 2.16 7.896
87 H193 H 3H19 N N N 0 4.659 1.56 9.492
88 H201 H 1H20 N N N 0 3.349 -1.204 9.273
89 H202 H 2H20 N N N 0 1.771 -0.741 9.953
90 H211 H 1H21 N N N 0 2.905 0.775 11.553
91 H212 H 2H21 N N N 0 4.484 0.312 10.873
92 H221 H 1H22 N N N 0 4.067 -2.046 11.513
93 H222 H 2H22 N N N 0 2.489 -1.583 12.193
94 H23 H H23 N N N 0 5.202 -0.529 13.113
95 H241 H 1H24 N N N 0 2.38 -0.081 14.186
96 H242 H 2H24 N N N 0 3.88 0.525 14.926
97 H243 H 3H24 N N N 0 3.369 1.125 13.331
98 H251 H 1H25 N N N 0 4.786 -2.889 13.753
99 H252 H 2H25 N N N 0 3.207 -2.426 14.433
100 H261 H 1H26 N N N 0 4.342 -0.909 16.033
101 H262 H 2H26 N N N 0 5.92 -1.372 15.353
102 H271 H 1H27 N N N 0 5.504 -3.731 15.993
103 H272 H 2H27 N N N 0 3.925 -3.268 16.673
104 H28 H H28 N N N 0 5.06 -1.751 18.273
105 H291 H 1H29 N N N 0 6.144 -3.503 19.653
106 H292 H 2H29 N N N 0 4.644 -4.11 18.913
107 H293 H 3H29 N N N 0 6.222 -4.573 18.232
108 H301 H 1H30 N N N 0 7.61 -2.878 17.031
109 H302 H 2H30 N N N 0 7.021 -1.208 16.856
110 H303 H 3H30 N N N 0 7.532 -1.808 18.451
111 H411 H 1H41 N N N 0 -1.208 2.993 -3.596
112 H412 H 2H41 N N N 0 0.248 4.017 -3.602
113 H421 H 1H42 N N N 0 1.665 1.998 -3.858
114 H422 H 2H42 N N N 0 0.209 0.975 -3.852
115 H43 H H43 N N N 0 -0.623 2.146 -5.872
116 H451 H 1H45 N N N 0 2.25 1.152 -6.135
117 H441 H 1H44 N N N 0 2.052 3.609 -5.729
118 H442 H 2H44 N N N 0 0.871 3.733 -7.055
119 H443 H 3H44 N N N 0 0.454 4.336 -5.433
120 H452 H 2H45 N N N 0 0.794 0.128 -6.128
121 H461 H 1H46 N N N 0 -0.038 1.3 -8.149
122 H462 H 2H46 N N N 0 1.418 2.323 -8.155
123 H471 H 1H47 N N N 0 2.835 0.305 -8.411
124 H472 H 2H47 N N N 0 1.379 -0.718 -8.405
125 H48 H H48 N N N 0 2.003 1.476 -10.432
126 H491 H 1H49 N N N 0 -0.277 -0.544 -10.266
127 H492 H 2H49 N N N 0 -0.419 1.206 -9.977
128 H493 H 3H49 N N N 0 -0.002 0.602 -11.599
129 H501 H 1H50 N N N 0 3.42 -0.541 -10.688
130 H502 H 2H50 N N N 0 1.964 -1.565 -10.681
131 H511 H 1H51 N N N 0 1.132 -0.393 -12.702
132 H512 H 2H51 N N N 0 2.588 0.63 -12.709
133 H521 H 1H52 N N N 0 4.005 -1.388 -12.965
134 H522 H 2H52 N N N 0 2.549 -2.411 -12.958
135 H53 H H53 N N N 0 1.717 -1.24 -14.979
136 H541 H 1H54 N N N 0 4.392 0.222 -14.835
137 H542 H 2H54 N N N 0 3.211 0.345 -16.161
138 H543 H 3H54 N N N 0 2.795 0.949 -14.539
139 H551 H 1H55 N N N 0 4.591 -2.235 -15.241
140 H552 H 2H55 N N N 0 3.134 -3.258 -15.235
141 H561 H 1H56 N N N 0 2.302 -2.087 -17.255
142 H562 H 2H56 N N N 0 3.758 -1.063 -17.262
143 H571 H 1H57 N N N 0 5.176 -3.081 -17.518
144 H572 H 2H57 N N N 0 3.719 -4.105 -17.511
145 H58 H H58 N N N 0 4.343 -1.91 -19.539
146 H591 H 1H59 N N N 0 4.58 -3.805 -21.121
147 H592 H 2H59 N N N 0 5.761 -3.928 -19.794
148 H593 H 3H59 N N N 0 4.304 -4.952 -19.788
149 H601 H 1H60 N N N 0 2.062 -3.931 -19.373
150 H602 H 2H60 N N N 0 1.921 -2.181 -19.084
151 H603 H 3H60 N N N 0 2.337 -2.784 -20.706
152 HO5 H HO5 N N N 0 -4.04 3.136 1.578
153 HO7 H HO7 N N N 0 -5.18 -0.134 3.602
154 HO0 H HO0 N N N 0 -9.627 -4.407 3.977
155 HO1 H HO1 N N N 0 -8.789 -1.578 4.592