Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PCJ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 167


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CB C CB N N N 0 -1.714 -7.755 0.344
2 SG S SG N N N 0 -0.974 -6.147 0.74
3 C C C N N N 0 -3.782 -9.144 0.529
4 O O O N N N 0 -3.563 -9.548 -0.824
5 N N N N N N 0 -3.917 -6.777 -0.071
6 CA C CA S N N 0 -3.19 -7.751 0.747
7 C1 C C1 N N N 0 0.746 -6.345 0.199
8 C2 C C2 R N N 0 1.518 -5.052 0.469
9 O2 O O2 N N N 0 0.903 -3.959 -0.262
10 C3 C C3 N N N 0 2.969 -5.219 0.012
11 O3 O O3 N N N 0 3.73 -4.037 0.376
12 C11 C C11 N N N 0 21.965 3.978 -0.561
13 C15 C C15 N N N 0 17.371 2.033 -0.289
14 C12 C C12 N N N 0 21.099 2.767 -0.911
15 C13 C C13 N N N 0 19.668 3.006 -0.425
16 C14 C C14 N N N 0 18.802 1.794 -0.775
17 C16 C C16 N N N 0 16.504 0.822 -0.64
18 C17 C C17 N N N 0 15.073 1.061 -0.154
19 C18 C C18 N N N 0 14.207 -0.151 -0.504
20 C19 C C19 N N N 0 12.776 0.088 -0.018
21 C20 C C20 N N N 0 11.909 -1.123 -0.368
22 C21 C C21 N N N 0 10.478 -0.885 0.118
23 C22 C C22 N N N 0 9.612 -2.096 -0.233
24 C23 C C23 N N N 0 8.181 -1.857 0.254
25 C24 C C24 N N N 0 7.315 -3.069 -0.097
26 C25 C C25 N N N 0 5.884 -2.83 0.389
27 C26 C C26 N N N 0 5.03 -4.023 0.044
28 O28 O O28 N N N 0 5.517 -4.968 -0.532
29 C31 C C31 N N N 0 -2.219 15.728 0.329
30 C32 C C32 N N N 0 -1.595 14.526 1.042
31 C33 C C33 N N N 0 -1.847 13.259 0.222
32 C34 C C34 N N N 0 -1.223 12.058 0.934
33 C35 C C35 N N N 0 -1.475 10.791 0.114
34 C36 C C36 N N N 0 -0.851 9.59 0.827
35 C37 C C37 N N N 0 -1.103 8.323 0.006
36 C38 C C38 N N N 0 -0.479 7.121 0.719
37 C42 C C42 N N N 0 0.265 2.185 0.504
38 C39 C C39 N N N 0 -0.731 5.855 -0.101
39 C40 C C40 N N N 0 -0.107 4.653 0.612
40 C41 C C41 N N N 0 -0.359 3.386 -0.209
41 C43 C C43 N N N 0 0.013 0.918 -0.317
42 C44 C C44 N N N 0 0.637 -0.283 0.396
43 C45 C C45 N N N 0 0.385 -1.55 -0.424
44 C46 C C46 N N N 0 1.0 -2.734 0.278
45 O47 O O47 N N N 0 1.579 -2.58 1.327
46 C51 C C51 N N N 0 -19.846 5.178 -1.163
47 C52 C C52 N N N 0 -19.087 4.161 -0.309
48 C53 C C53 N N N 0 -17.84 3.692 -1.061
49 C54 C C54 N N N 0 -17.081 2.675 -0.207
50 C55 C C55 N N N 0 -15.834 2.206 -0.959
51 C56 C C56 N N N 0 -15.074 1.189 -0.105
52 C57 C C57 N N N 0 -13.828 0.72 -0.857
53 C58 C C58 N N N 0 -13.068 -0.296 -0.003
54 C59 C C59 N N N 0 -11.821 -0.765 -0.756
55 C60 C C60 N N N 0 -11.062 -1.782 0.099
56 C61 C C61 N N N 0 -9.815 -2.251 -0.654
57 C62 C C62 N N N 0 -9.056 -3.268 0.201
58 C63 C C63 N N N 0 -7.809 -3.737 -0.552
59 C64 C C64 N N N 0 -7.05 -4.754 0.303
60 C65 C C65 N N N 0 -5.803 -5.222 -0.45
61 C66 C C66 N N N 0 -5.055 -6.224 0.392
62 O67 O O67 N N N 0 -5.478 -6.533 1.486
63 H511 H 1H51 N N N 0 -20.142 4.713 -2.103
64 H512 H 2H51 N N N 0 -20.734 5.511 -0.627
65 H513 H 3H51 N N N 0 -19.202 6.033 -1.368
66 H521 H 1H52 N N N 0 -18.79 4.626 0.632
67 H522 H 2H52 N N N 0 -19.731 3.305 -0.104
68 H531 H 1H53 N N N 0 -18.136 3.227 -2.001
69 H532 H 2H53 N N N 0 -17.196 4.547 -1.266
70 H541 H 1H54 N N N 0 -16.784 3.14 0.734
71 H542 H 2H54 N N N 0 -17.725 1.82 -0.002
72 H551 H 1H55 N N N 0 -16.13 1.741 -1.9
73 H552 H 2H55 N N N 0 -15.19 3.062 -1.164
74 H561 H 1H56 N N N 0 -14.778 1.654 0.836
75 H562 H 2H56 N N N 0 -15.718 0.334 0.1
76 H571 H 1H57 N N N 0 -14.124 0.256 -1.798
77 H572 H 2H57 N N N 0 -13.184 1.576 -1.062
78 H581 H 1H58 N N N 0 -12.772 0.168 0.937
79 H582 H 2H58 N N N 0 -13.712 -1.152 0.202
80 H591 H 1H59 N N N 0 -12.118 -1.23 -1.696
81 H592 H 2H59 N N N 0 -11.177 0.09 -0.96
82 H601 H 1H60 N N N 0 -10.766 -1.317 1.039
83 H602 H 2H60 N N N 0 -11.706 -2.638 0.304
84 H611 H 1H61 N N N 0 -10.112 -2.716 -1.594
85 H612 H 2H61 N N N 0 -9.171 -1.396 -0.858
86 H632 H 2H63 N N N 0 -7.165 -2.881 -0.756
87 H621 H 1H62 N N N 0 -8.759 -2.803 1.141
88 H622 H 2H62 N N N 0 -9.7 -4.123 0.406
89 H631 H 1H63 N N N 0 -8.106 -4.202 -1.492
90 H641 H 1H64 N N N 0 -6.753 -4.289 1.243
91 H642 H 2H64 N N N 0 -7.694 -5.609 0.508
92 H651 H 1H65 N N N 0 -6.099 -5.687 -1.39
93 H652 H 2H65 N N N 0 -5.159 -4.367 -0.654
94 HN H HN N N N 0 -3.579 -6.53 -0.946
95 HA H HA N N N 0 -3.278 -7.479 1.799
96 H1 H 1H N N N 0 -4.853 -9.12 0.731
97 H2A H 2H N N N 0 -3.301 -9.853 1.202
98 HO H HO N N N 0 -3.913 -10.425 -1.035
99 HB1 H 1HB N N N 0 -1.63 -7.939 -0.727
100 HB2 H 2HB N N N 0 -1.19 -8.541 0.889
101 H11 H 1H1 N N N 0 1.208 -7.166 0.748
102 H12 H 2H1 N N N 0 0.768 -6.564 -0.869
103 H2 H H2 N N N 0 1.497 -4.833 1.537
104 H31 H 1H3 N N N 0 3.404 -6.094 0.495
105 H32 H 2H3 N N N 0 2.996 -5.35 -1.069
106 H251 H 1H25 N N N 0 5.886 -2.686 1.469
107 H252 H 2H25 N N N 0 5.479 -1.941 -0.095
108 H241 H 1H24 N N N 0 7.312 -3.213 -1.177
109 H242 H 2H24 N N N 0 7.719 -3.957 0.387
110 H231 H 1H23 N N N 0 8.184 -1.713 1.334
111 H232 H 2H23 N N N 0 7.776 -0.969 -0.231
112 H221 H 1H22 N N N 0 9.609 -2.241 -1.313
113 H222 H 2H22 N N N 0 10.017 -2.985 0.252
114 H211 H 1H21 N N N 0 10.481 -0.74 1.198
115 H212 H 2H21 N N N 0 10.074 0.004 -0.367
116 H201 H 1H20 N N N 0 11.907 -1.268 -1.449
117 H202 H 2H20 N N N 0 12.314 -2.012 0.116
118 H191 H 1H19 N N N 0 12.778 0.232 1.062
119 H192 H 2H19 N N N 0 12.371 0.976 -0.502
120 H181 H 1H18 N N N 0 14.204 -0.295 -1.584
121 H182 H 2H18 N N N 0 14.611 -1.039 -0.02
122 H162 H 2H16 N N N 0 16.909 -0.067 -0.155
123 H171 H 1H17 N N N 0 15.076 1.205 0.927
124 H172 H 2H17 N N N 0 14.668 1.949 -0.638
125 H161 H 1H16 N N N 0 16.501 0.677 -1.72
126 H151 H 1H15 N N N 0 17.373 2.178 0.791
127 H152 H 2H15 N N N 0 16.966 2.922 -0.774
128 H141 H 1H14 N N N 0 18.799 1.65 -1.856
129 H142 H 2H14 N N N 0 19.206 0.906 -0.291
130 H131 H 1H13 N N N 0 19.67 3.15 0.655
131 H132 H 2H13 N N N 0 19.263 3.894 -0.91
132 H121 H 1H12 N N N 0 21.096 2.623 -1.992
133 H122 H 2H12 N N N 0 21.504 1.878 -0.427
134 H111 H 1H11 N N N 0 22.985 3.808 -0.907
135 H112 H 2H11 N N N 0 21.56 4.867 -1.045
136 H113 H 3H11 N N N 0 21.968 4.123 0.52
137 H451 H 1H45 N N N 0 -0.688 -1.707 -0.53
138 H452 H 2H45 N N N 0 0.835 -1.439 -1.411
139 H441 H 1H44 N N N 0 1.71 -0.126 0.502
140 H442 H 2H44 N N N 0 0.187 -0.394 1.383
141 H431 H 1H43 N N N 0 -1.06 0.761 -0.422
142 H432 H 2H43 N N N 0 0.463 1.029 -1.303
143 H421 H 1H42 N N N 0 1.338 2.342 0.61
144 H422 H 2H42 N N N 0 -0.185 2.074 1.491
145 H411 H 1H41 N N N 0 -1.432 3.229 -0.315
146 H412 H 2H41 N N N 0 0.091 3.497 -1.195
147 H401 H 1H40 N N N 0 0.966 4.81 0.717
148 H402 H 2H40 N N N 0 -0.557 4.542 1.598
149 H391 H 1H39 N N N 0 -1.804 5.697 -0.207
150 H392 H 2H39 N N N 0 -0.281 5.965 -1.088
151 H381 H 1H38 N N N 0 0.594 7.279 0.825
152 H382 H 2H38 N N N 0 -0.929 7.01 1.706
153 H371 H 1H37 N N N 0 -2.176 8.166 -0.099
154 H372 H 2H37 N N N 0 -0.653 8.434 -0.98
155 H361 H 1H36 N N N 0 0.222 9.747 0.933
156 H362 H 2H36 N N N 0 -1.301 9.479 1.814
157 H351 H 1H35 N N N 0 -2.548 10.634 0.008
158 H352 H 2H35 N N N 0 -1.025 10.902 -0.873
159 H341 H 1H34 N N N 0 -0.15 12.215 1.04
160 H342 H 2H34 N N N 0 -1.673 11.947 1.921
161 H331 H 1H33 N N N 0 -2.921 13.102 0.116
162 H332 H 2H33 N N N 0 -1.397 13.37 -0.765
163 H321 H 1H32 N N N 0 -0.522 14.683 1.148
164 H322 H 2H32 N N N 0 -2.045 14.415 2.029
165 H311 H 1H31 N N N 0 -2.04 16.63 0.914
166 H312 H 2H31 N N N 0 -1.769 15.839 -0.657
167 H313 H 3H31 N N N 0 -3.293 15.571 0.224