Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PUL

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 126


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C12 C C12 N N N 0 6.603 -6.991 14.396
2 C13 C C13 S N N 0 7.456 -6.79 15.646
3 C14 C C14 N N N 0 7.097 -5.48 16.279
4 C15 C C15 N N N 0 6.589 -5.374 17.517
5 C16 C C16 N N N 0 6.194 -4.135 18.148
6 C17 C C17 N N N 0 5.399 -3.216 17.579
7 C18 C C18 N N N 0 4.981 -2.008 18.256
8 C19 C C19 N N N 0 4.137 -1.118 17.712
9 C20 C C20 N N N 0 3.694 0.143 18.405
10 C11 C C11 N N N 0 5.118 -7.035 14.577
11 C10 C C10 N N N 0 4.439 -6.101 13.889
12 C6 C C6 N N N 0 0.349 -4.471 14.511
13 C9 C C9 N N N 0 3.011 -5.871 13.951
14 C8 C C8 N N N 0 2.408 -4.889 13.261
15 C7 C C7 N N N 0 0.987 -4.564 13.326
16 C5 C C5 R N N 0 -1.088 -4.093 14.764
17 C4 C C4 N N N 0 -1.306 -2.693 15.344
18 O12 O O12 N N N 0 7.094 -7.114 13.274
19 C21 C C21 S N N 0 2.201 0.099 18.761
20 O21 O O21 N N N 0 1.444 0.121 17.531
21 C43 C C43 N N N 0 4.576 -8.086 15.491
22 C42 C C42 N N N 0 0.376 -4.258 11.987
23 C41 C C41 N N N 0 -2.757 -2.379 15.62
24 C3 C C3 N N N 0 -0.303 -1.819 15.575
25 C2 C C2 N N N 0 -0.375 -0.437 16.146
26 C1 C C1 N N N 0 0.224 -0.488 17.53
27 O1 O O1 N N N 0 -0.316 -1.031 18.486
28 O5 O O5 N N N 0 -1.63 -5.07 15.662
29 O13 O O13 N N N 0 8.825 -6.744 15.279
30 C22 C C22 S N N 0 1.808 1.319 19.588
31 C23 C C23 S N N 0 2.065 2.668 18.861
32 C24 C C24 S N N 0 1.708 3.913 19.703
33 C25 C C25 N N N 0 2.025 5.201 18.949
34 C26 C C26 N N N 0 2.373 6.39 19.781
35 C27 C C27 N N N 0 2.66 7.564 19.203
36 C28 C C28 N N N 0 2.999 8.746 19.965
37 C29 C C29 N N N 0 3.287 9.926 19.395
38 C30 C C30 N N N 0 3.626 11.107 20.157
39 C31 C C31 N N N 0 3.915 12.288 19.59
40 C44 C C44 N N N 0 2.549 1.282 20.933
41 O23 O O23 N N N 0 3.442 2.764 18.493
42 O25 O O25 N N N 0 2.011 5.253 17.721
43 C32 C C32 S N N 0 4.27 13.522 20.375
44 O32 O O32 N N N 0 3.247 14.491 20.135
45 C33 C C33 S N N 0 5.635 14.127 20.005
46 O33 O O33 N N N 0 6.67 13.199 20.329
47 C35 C C35 R N N 0 7.546 13.727 21.312
48 C45 C C45 N N N 0 0.221 3.938 20.074
49 O35 O O35 N N N 0 8.109 14.954 20.85
50 C39 C C39 R N N 0 8.967 15.576 21.814
51 C38 C C38 R N N 0 10.161 14.664 22.116
52 C37 C C37 S N N 0 9.661 13.305 22.61
53 C36 C C36 R N N 0 8.642 12.71 21.639
54 C46 C C46 N N N 0 7.075 10.978 21.372
55 O36 O O36 N N N 0 8.032 11.567 22.239
56 O37 O O37 N N N 0 10.753 12.401 22.758
57 O38 O O38 N N N 0 10.934 14.46 20.932
58 C47 C C47 N N N 0 12.049 13.62 21.184
59 C40 C C40 N N N 0 9.382 16.928 21.247
60 C34 C C34 N N N 0 5.744 14.507 18.533
61 H13 H H13 N N N 0 7.315 -7.64 16.323
62 H14 H H14 N N N 0 7.24 -4.585 15.676
63 H15 H H15 N N N 0 6.476 -6.263 18.132
64 H16 H H16 N N N 0 6.534 -4.01 19.173
65 H17 H H17 N N N 0 5.027 -3.368 16.568
66 H18 H H18 N N N 0 5.371 -1.835 19.255
67 H19 H H19 N N N 0 3.741 -1.288 16.713
68 H201 H 1H20 N N N 0 4.287 0.304 19.313
69 H202 H 2H20 N N N 0 3.896 0.984 17.73
70 H10 H H10 N N N 0 4.993 -5.407 13.257
71 H9 H H9 N N N 0 2.425 -6.504 14.61
72 H8 H H8 N N N 0 2.995 -4.262 12.592
73 H6 H H6 N N N 0 0.92 -4.671 15.419
74 H5 H H5 N N N 0 -1.677 -4.177 13.847
75 H21 H H21 N N N 0 1.986 -0.817 19.326
76 H431 H 1H43 N N N 0 5.26 -8.235 16.326
77 H432 H 2H43 N N N 0 4.461 -9.024 14.948
78 H433 H 3H43 N N N 0 3.603 -7.778 15.872
79 H421 H 1H42 N N N 0 0.081 -3.213 11.957
80 H422 H 2H42 N N N 0 -0.495 -4.89 11.836
81 H423 H 3H42 N N N 0 1.105 -4.456 11.206
82 H411 H 1H41 N N N 0 -3.05 -2.855 16.55
83 H412 H 2H41 N N N 0 -3.362 -2.755 14.802
84 H413 H 3H41 N N N 0 -2.877 -1.304 15.699
85 H3 H H3 N N N 0 0.717 -2.115 15.336
86 H2C1 H 1H2C N N N 0 0.192 0.253 15.511
87 H2C2 H 2H2C N N N 0 -1.382 -0.022 16.224
88 HB H HB N N N 0 -1.689 -5.893 15.158
89 HA H HA N N N 0 8.857 -6.528 14.332
90 H22 H H22 N N N 0 0.736 1.246 19.82
91 H23 H H23 N N N 0 1.479 2.691 17.933
92 H24 H H24 N N N 0 2.268 3.883 20.644
93 H26 H H26 N N N 0 2.38 6.266 20.858
94 H27 H H27 N N N 0 2.644 7.666 18.121
95 H28 H H28 N N N 0 3.014 8.649 21.048
96 H29 H H29 N N N 0 3.272 10.024 18.311
97 H30 H H30 N N N 0 3.646 11.013 21.24
98 H31 H H31 N N N 0 3.896 12.384 18.506
99 H441 H 1H44 N N N 0 1.847 1.172 21.766
100 H442 H 2H44 N N N 0 3.268 0.458 20.978
101 H443 H 3H44 N N N 0 3.104 2.214 21.089
102 HD H HD N N N 0 3.951 2.667 19.311
103 H32 H H32 N N N 0 4.254 13.304 21.45
104 HE H HE N N N 0 2.948 14.351 19.224
105 H33 H H33 N N N 0 5.808 15.016 20.623
106 H35 H H35 N N N 0 6.925 13.928 22.193
107 H451 H 1H45 N N N 0 -0.317 3.122 19.579
108 H452 H 2H45 N N N 0 0.079 3.824 21.153
109 H453 H 3H45 N N N 0 -0.25 4.878 19.765
110 H39 H H39 N N N 0 8.393 15.752 22.733
111 H38 H H38 N N N 0 10.825 15.11 22.865
112 H37 H H37 N N N 0 9.2 13.412 23.6
113 H36 H H36 N N N 0 9.138 12.364 20.724
114 H461 H 1H46 N N N 0 6.823 9.978 21.732
115 H462 H 2H46 N N N 0 7.486 10.92 20.361
116 H463 H 3H46 N N N 0 6.175 11.597 21.363
117 HF H HF N N N 0 10.709 11.79 22.006
118 H471 H 1H47 N N N 0 12.433 13.815 22.188
119 H472 H 2H47 N N N 0 12.826 13.812 20.441
120 H473 H 3H47 N N N 0 11.731 12.577 21.115
121 H401 H 1H40 N N N 0 9.257 17.715 21.997
122 H402 H 2H40 N N N 0 10.432 16.91 20.939
123 H403 H 3H40 N N N 0 8.772 17.183 20.376
124 H341 H 1H34 N N N 0 6.761 14.817 18.277
125 H342 H 2H34 N N N 0 5.449 13.678 17.881
126 H343 H 3H34 N N N 0 5.062 15.334 18.305