Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PCW

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 139


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 -0.532 -4.697 0.784
2 C2 C C2 R N N 0 -1.206 -4.035 1.988
3 C3 C C3 N N N 0 -0.137 -3.483 2.932
4 C4 C C4 N N N 0 2.77 -4.336 -2.787
5 C5 C C5 N N N 0 3.841 -3.484 -3.471
6 C6 C C6 N N N 0 5.556 -4.497 -2.134
7 C7 C C7 N N N 0 5.943 -2.369 -3.17
8 C8 C C8 N N N 0 4.408 -2.548 -1.336
9 C11 C C11 N N N 0 1.762 -1.985 2.827
10 C12 C C12 N N N 0 2.674 -1.058 2.065
11 C13 C C13 N N N 0 3.744 -0.506 3.009
12 C14 C C14 N N N 0 4.67 0.435 2.236
13 C15 C C15 N N N 0 5.74 0.987 3.18
14 C16 C C16 N N N 0 6.666 1.928 2.406
15 C17 C C17 N N N 0 7.736 2.481 3.351
16 C18 C C18 N N N 0 8.662 3.421 2.577
17 C19 C C19 N N N 0 9.716 3.966 3.507
18 C20 C C20 N N N 0 10.983 3.856 3.196
19 C21 C C21 N N N 0 11.384 3.348 1.835
20 C22 C C22 N N N 0 12.362 4.333 1.191
21 C23 C C23 N N N 0 12.769 3.818 -0.191
22 C24 C C24 N N N 0 13.746 4.803 -0.836
23 C25 C C25 N N N 0 14.153 4.287 -2.217
24 C26 C C26 N N N 0 15.131 5.272 -2.862
25 C27 C C27 N N N 0 15.538 4.756 -4.243
26 C28 C C28 N N N 0 16.515 5.741 -4.888
27 C31 C C31 N N N 0 -3.341 -3.187 1.224
28 C32 C C32 N N N 0 -4.222 -2.061 0.75
29 C33 C C33 N N N 0 -5.629 -2.596 0.472
30 C34 C C34 N N N 0 -6.524 -1.452 -0.01
31 C35 C C35 N N N 0 -7.93 -1.987 -0.288
32 C36 C C36 N N N 0 -8.825 -0.844 -0.77
33 C37 C C37 N N N 0 -10.231 -1.379 -1.048
34 C38 C C38 N N N 0 -11.126 -0.236 -1.53
35 C39 C C39 N N N 0 -12.511 -0.763 -1.804
36 C40 C C40 N N N 0 -13.55 -0.193 -1.246
37 C41 C C41 N N N 0 -13.383 1.092 -0.477
38 C42 C C42 N N N 0 -14.361 2.139 -1.014
39 C43 C C43 N N N 0 -14.191 3.443 -0.233
40 C44 C C44 N N N 0 -15.169 4.49 -0.771
41 C45 C C45 N N N 0 -14.999 5.795 0.01
42 C46 C C46 N N N 0 -15.977 6.842 -0.527
43 C47 C C47 N N N 0 -15.807 8.147 0.254
44 C48 C C48 N N N 0 -16.785 9.194 -0.284
45 N N N N N N 1 4.937 -3.224 -2.528
46 O2 O O2 N N N 0 -2.056 -2.95 1.53
47 O3 O O3 N N N 0 0.742 -2.59 2.198
48 O11 O O11 N N N 0 1.948 -2.183 4.004
49 O31 O O31 N N N 0 -3.791 -4.303 1.33
50 O1P O O1P N N N 0 -0.112 -4.876 -2.176
51 O2P O O2P N N N 0 1.665 -5.771 -0.623
52 O3P O O3P N N N 0 0.352 -3.763 0.16
53 O4P O O4P N N N 0 2.131 -3.568 -1.765
54 P P P S N N 0 1.023 -4.522 -1.091
55 H11 H 1H1 N N N 0 0.035 -5.566 1.118
56 H12 H 2H1 N N N 0 -1.292 -5.012 0.069
57 H2 H H2 N N N 0 -1.811 -4.772 2.516
58 H31 H 1H3 N N N 0 0.445 -4.307 3.344
59 H32 H 2H3 N N N 0 -0.616 -2.934 3.743
60 H41 H 1H4 N N N 0 3.235 -5.216 -2.343
61 H42 H 2H4 N N N 0 2.03 -4.649 -3.523
62 H51 H 1H5 N N N 0 4.228 -4.015 -4.34
63 H52 H 2H5 N N N 0 3.403 -2.537 -3.789
64 H61 H 1H6 N N N 0 5.948 -4.999 -3.018
65 H62 H 2H6 N N N 0 6.369 -4.305 -1.434
66 H63 H 3H6 N N N 0 4.809 -5.132 -1.658
67 H71 H 1H7 N N N 0 5.484 -1.424 -3.463
68 H72 H 2H7 N N N 0 6.757 -2.176 -2.47
69 H73 H 3H7 N N N 0 6.336 -2.871 -4.055
70 H81 H 1H8 N N N 0 3.8 -3.247 -0.762
71 H82 H 2H8 N N N 0 5.235 -2.195 -0.721
72 H83 H 3H8 N N N 0 3.795 -1.7 -1.642
73 H121 H 1H12 N N N 0 2.093 -0.234 1.653
74 H122 H 2H12 N N N 0 3.154 -1.607 1.254
75 H131 H 1H13 N N N 0 4.325 -1.33 3.422
76 H132 H 2H13 N N N 0 3.264 0.042 3.82
77 H141 H 1H14 N N N 0 4.089 1.259 1.823
78 H142 H 2H14 N N N 0 5.15 -0.113 1.425
79 H151 H 1H15 N N N 0 6.321 0.163 3.593
80 H152 H 2H15 N N N 0 5.26 1.536 3.991
81 H161 H 1H16 N N N 0 6.085 2.752 1.994
82 H162 H 2H16 N N N 0 7.145 1.38 1.595
83 H171 H 1H17 N N N 0 8.317 1.656 3.763
84 H172 H 2H17 N N N 0 7.256 3.029 4.162
85 H181 H 1H18 N N N 0 8.081 4.246 2.164
86 H182 H 2H18 N N N 0 9.141 2.873 1.766
87 H19 H H19 N N N 0 9.425 4.446 4.43
88 H20 H H20 N N N 0 11.741 4.13 3.915
89 H211 H 1H21 N N N 0 10.498 3.252 1.208
90 H212 H 2H21 N N N 0 11.864 2.375 1.938
91 H221 H 1H22 N N N 0 13.248 4.429 1.818
92 H222 H 2H22 N N N 0 11.882 5.307 1.088
93 H231 H 1H23 N N N 0 11.883 3.722 -0.819
94 H232 H 2H23 N N N 0 13.249 2.844 -0.089
95 H241 H 1H24 N N N 0 14.632 4.898 -0.208
96 H242 H 2H24 N N N 0 13.266 5.776 -0.938
97 H251 H 1H25 N N N 0 13.267 4.191 -2.845
98 H252 H 2H25 N N N 0 14.633 3.313 -2.115
99 H261 H 1H26 N N N 0 16.017 5.368 -2.234
100 H262 H 2H26 N N N 0 14.651 6.245 -2.964
101 H271 H 1H27 N N N 0 14.652 4.66 -4.871
102 H272 H 2H27 N N N 0 16.018 3.783 -4.141
103 H281 H 1H28 N N N 0 16.805 5.374 -5.872
104 H282 H 2H28 N N N 0 16.035 6.714 -4.99
105 H283 H 3H28 N N N 0 17.401 5.837 -4.26
106 H321 H 1H32 N N N 0 -4.273 -1.29 1.518
107 H322 H 2H32 N N N 0 -3.808 -1.636 -0.165
108 H331 H 1H33 N N N 0 -5.579 -3.367 -0.297
109 H332 H 2H33 N N N 0 -6.043 -3.021 1.386
110 H341 H 1H34 N N N 0 -6.574 -0.681 0.759
111 H342 H 2H34 N N N 0 -6.109 -1.027 -0.925
112 H351 H 1H35 N N N 0 -7.88 -2.759 -1.057
113 H352 H 2H35 N N N 0 -8.344 -2.412 0.626
114 H361 H 1H36 N N N 0 -8.875 -0.073 -0.001
115 H362 H 2H36 N N N 0 -8.41 -0.419 -1.684
116 H371 H 1H37 N N N 0 -10.181 -2.15 -1.817
117 H372 H 2H37 N N N 0 -10.645 -1.804 -0.134
118 H381 H 1H38 N N N 0 -11.176 0.535 -0.761
119 H382 H 2H38 N N N 0 -10.712 0.189 -2.444
120 H39 H H39 N N N 0 -12.646 -1.61 -2.459
121 H40 H H40 N N N 0 -14.527 -0.645 -1.338
122 H411 H 1H41 N N N 0 -13.587 0.912 0.579
123 H412 H 2H41 N N N 0 -12.362 1.455 -0.593
124 H421 H 1H42 N N N 0 -14.157 2.318 -2.07
125 H422 H 2H42 N N N 0 -15.382 1.776 -0.898
126 H431 H 1H43 N N N 0 -14.395 3.264 0.822
127 H432 H 2H43 N N N 0 -13.17 3.806 -0.349
128 H441 H 1H44 N N N 0 -14.965 4.67 -1.826
129 H442 H 2H44 N N N 0 -16.19 4.127 -0.655
130 H451 H 1H45 N N N 0 -15.203 5.616 1.066
131 H452 H 2H45 N N N 0 -13.978 6.158 -0.106
132 H461 H 1H46 N N N 0 -15.773 7.021 -1.583
133 H462 H 2H46 N N N 0 -16.998 6.479 -0.411
134 H482 H 2H48 N N N 0 -17.806 8.831 -0.168
135 H471 H 1H47 N N N 0 -16.011 7.967 1.309
136 H472 H 2H47 N N N 0 -14.786 8.51 0.137
137 H481 H 1H48 N N N 0 -16.581 9.373 -1.339
138 H483 H 3H48 N N N 0 -16.664 10.123 0.273
139 H1P H H1P N N N 0 -0.504 -4.037 -2.454