Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 5R3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 121


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O71 O O1 N N N 0 14.636 -0.757 -0.23
2 C71 C C5 N N N 0 15.69 -1.356 -0.135
3 C51 C C3 N Y N 0 18.433 1.007 -0.295
4 N11 N N1 N Y N 0 17.1 0.737 -0.309
5 C61 C C4 N N N 0 16.015 1.712 -0.444
6 C21 C C1 N Y N 0 16.964 -0.616 -0.172
7 N31 N N2 N Y N 0 18.166 -1.145 -0.08
8 C41 C C2 N Y N 0 19.077 -0.177 -0.152
9 N81 N N3 N N N 0 15.693 -2.696 0.01
10 C42 C C8 N Y N 0 14.478 -3.402 0.051
11 C32 C C7 N Y N 0 13.194 -2.844 -0.046
12 C52 C C9 N Y N 0 14.336 -4.747 0.187
13 C22 C C6 N Y N 0 12.293 -3.884 0.041
14 N12 N N4 N Y N 0 13.012 -5.049 0.184
15 C62 C C10 N N N 0 12.442 -6.393 0.312
16 C72 C C11 N N N 0 10.832 -3.77 -0.01
17 O72 O O2 N N N 0 10.143 -4.773 -0.028
18 N82 N N5 N N N 0 10.252 -2.553 -0.038
19 CM1 C C12 N N N 0 8.793 -2.435 0.024
20 CM2 C C13 N N N 0 8.398 -0.958 -0.024
21 C92 C C14 N N N 0 6.897 -0.837 0.04
22 O92 O O3 N N N 0 6.211 -1.835 0.117
23 N92 N N6 N N N 0 6.317 0.379 0.013
24 C43 C C16 N Y N 0 4.92 0.492 0.072
25 N33 N N8 N Y N 0 4.226 1.63 0.053
26 C53 C C17 N Y N 0 4.039 -0.543 0.154
27 C23 C C15 N Y N 0 2.94 1.356 0.125
28 N13 N N7 N Y N 0 2.79 -0.001 0.19
29 C63 C C18 N N N 0 1.525 -0.734 0.28
30 C73 C C19 N N N 0 1.847 2.344 0.131
31 O73 O O4 N N N 0 0.691 1.972 0.202
32 N83 N N9 N N N 0 2.128 3.66 0.058
33 C44 C C22 N Y N 0 1.086 4.603 0.064
34 C34 C C21 N Y N 0 -0.285 4.319 0.148
35 C54 C C23 N Y N 0 1.226 5.953 -0.003
36 C24 C C20 N Y N 0 -0.952 5.526 0.122
37 N14 N N10 N Y N 0 -0.007 6.523 0.029
38 C64 C C24 N N N 0 -0.285 7.96 -0.027
39 C74 C C25 N N N 0 -2.405 5.714 0.185
40 O74 O O5 N N N 0 -2.871 6.836 0.259
41 N84 N N11 N N N 0 -3.224 4.644 0.163
42 CM3 C C26 N N N 0 -4.676 4.835 0.113
43 CM4 C C27 N N N 0 -5.369 3.471 0.096
44 C94 C C28 N N N 0 -6.862 3.667 0.045
45 O94 O O6 N N N 0 -7.327 4.787 0.025
46 N94 N N12 N N N 0 -7.682 2.597 0.023
47 C45 C C30 N Y N 0 -9.072 2.779 -0.025
48 N35 N N14 N Y N 0 -9.987 1.809 -0.045
49 C55 C C31 N Y N 0 -9.72 3.977 -0.052
50 C25 C C29 N Y N 0 -11.189 2.348 -0.084
51 N15 N N13 N Y N 0 -11.053 3.707 -0.095
52 C65 C C32 N N N 0 -12.139 4.69 -0.135
53 C75 C C33 N N N 0 -12.463 1.609 -0.117
54 O75 O O7 N N N 0 -13.517 2.215 -0.152
55 N85 N N15 N N N 0 -12.461 0.261 -0.107
56 CM5 C C34 N N N 0 -13.728 -0.473 -0.139
57 CM6 C C35 N N N 0 -13.446 -1.977 -0.12
58 C16 C C36 N N N 0 -14.75 -2.733 -0.154
59 O16 O O8 N N N 0 -15.801 -2.128 -0.189
60 N16 N N16 N N N 0 -14.748 -4.081 -0.144
61 CM7 C C37 N N N 0 -16.015 -4.815 -0.176
62 CM8 C C38 N N N 0 -15.733 -6.319 -0.157
63 CM9 C C39 N N N 0 -17.056 -7.086 -0.191
64 N17 N N17 N N N 0 -16.786 -8.53 -0.173
65 C27 C C40 N N N 0 -16.179 -8.936 1.102
66 C37 C C41 N N N 0 -18.009 -9.298 -0.442
67 H51 H H2 N N N 0 18.891 1.98 -0.386
68 H613 H H4 N N N 0 15.165 1.243 -0.939
69 H612 H H3 N N N 0 15.714 2.06 0.544
70 H611 H H5 N N N 0 16.36 2.559 -1.038
71 H41 H H1 N N N 0 20.147 -0.313 -0.109
72 HN1 H H6 N N N 0 16.534 -3.174 0.085
73 H32 H H7 N N N 0 12.957 -1.798 -0.166
74 H52 H H8 N N N 0 15.143 -5.458 0.282
75 H621 H H10 N N N 0 11.439 -6.324 0.733
76 H622 H H9 N N N 0 12.393 -6.862 -0.671
77 H623 H H11 N N N 0 13.072 -6.993 0.969
78 HN2 H H12 N N N 0 10.801 -1.756 -0.099
79 HM12 H H13 N N N 0 8.35 -2.958 -0.823
80 HM11 H H14 N N N 0 8.432 -2.878 0.953
81 HM21 H H15 N N N 0 8.841 -0.436 0.824
82 HM22 H H16 N N N 0 8.759 -0.516 -0.952
83 HN3 H H17 N N N 0 6.866 1.177 -0.049
84 H53 H H18 N N N 0 4.283 -1.594 0.185
85 H631 H H21 N N N 0 1.682 -1.663 0.827
86 H632 H H20 N N N 0 0.789 -0.124 0.804
87 H633 H H19 N N N 0 1.163 -0.959 -0.723
88 HN4 H H22 N N N 0 3.05 3.956 0.002
89 H34 H H23 N N N 0 -0.735 3.34 0.218
90 H54 H H24 N N N 0 2.163 6.486 -0.071
91 H641 H H26 N N N 0 0.455 8.449 -0.66
92 H642 H H27 N N N 0 -1.281 8.122 -0.44
93 H643 H H25 N N N 0 -0.237 8.378 0.979
94 HN5 H H28 N N N 0 -2.853 3.749 0.179
95 HM32 H H29 N N N 0 -4.999 5.396 0.99
96 HM31 H H30 N N N 0 -4.939 5.387 -0.789
97 HM41 H H32 N N N 0 -5.046 2.91 -0.781
98 HM42 H H31 N N N 0 -5.105 2.918 0.998
99 HN6 H H33 N N N 0 -7.31 1.701 0.039
100 H55 H H34 N N N 0 -9.262 4.955 -0.041
101 H651 H H37 N N N 0 -12.991 4.268 -0.668
102 H652 H H35 N N N 0 -12.436 4.945 0.882
103 H653 H H36 N N N 0 -11.798 5.588 -0.65
104 HM61 H H42 N N N 0 -12.848 -2.246 -0.991
105 HN7 H H38 N N N 0 -11.621 -0.222 -0.079
106 HM52 H H39 N N N 0 -14.326 -0.205 0.731
107 HM51 H H40 N N N 0 -14.273 -0.217 -1.048
108 HM62 H H41 N N N 0 -12.901 -2.233 0.788
109 HN8 H H43 N N N 0 -13.907 -4.564 -0.116
110 HM71 H H44 N N N 0 -16.613 -4.547 0.694
111 HM72 H H45 N N N 0 -16.56 -4.559 -1.085
112 HM81 H H46 N N N 0 -15.135 -6.588 -1.028
113 HM82 H H47 N N N 0 -15.188 -6.575 0.751
114 HM91 H H49 N N N 0 -17.654 -6.818 0.679
115 HM92 H H48 N N N 0 -17.602 -6.83 -1.1
116 H271 H H51 N N N 0 -16.859 -8.697 1.92
117 H272 H H53 N N N 0 -15.989 -10.009 1.089
118 H273 H H52 N N N 0 -15.239 -8.402 1.243
119 H371 H H55 N N N 0 -18.755 -9.073 0.32
120 H372 H H54 N N N 0 -18.399 -9.028 -1.423
121 H373 H H56 N N N 0 -17.78 -10.364 -0.423