Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CTY

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 C10 C C10 R N N 0 1.652 4.666 5.666
2 C11 C C11 R N N 0 2.897 4.775 4.746
3 C12 C C12 S N N 0 4.302 4.553 5.391
4 C13 C C13 R N N 0 4.661 3.08 5.755
5 O2 O O2 N N N 0 4.251 2.233 4.651
6 C2 C C2 R N N 0 4.392 0.365 3.196
7 C3 C C3 S N N 0 2.871 0.113 3.321
8 C4 C C4 S N N 0 2.417 -0.568 4.642
9 C5 C C5 R N N 0 0.869 -0.752 4.763
10 C6 C C6 R N N 0 -0.034 0.513 4.587
11 C7 C C7 N N N 0 0.459 1.705 5.447
12 C8 C C8 R N N 0 -0.376 2.998 5.323
13 C9 C C9 N N N 0 0.463 4.177 4.824
14 O11 O O11 N N N 0 0.166 4.735 3.764
15 C1 C C1 N N N 0 4.967 1.103 4.393
16 O1 O O1 N N N 0 5.954 0.718 5.008
17 O3 O O3 N N N 0 2.427 -0.662 2.206
18 O7 O O7 N N N 0 0.59 -1.297 6.061
19 C34 C C34 N N N 0 1.229 5.979 6.334
20 C33 C C33 N N N 0 -1.077 3.35 6.632
21 C35 C C35 N N N 0 4.602 5.508 6.551
22 O12 O O12 N N N 0 2.869 6.075 4.133
23 O13 O O13 N N N 0 5.261 4.875 4.35
24 C36 C C36 N N N 0 4.076 2.512 7.044
25 C30 C C30 N N N 0 4.735 1.144 1.923
26 C32 C C32 N N N 0 -1.494 0.155 4.928
27 O10 O O10 N N N 0 -0.02 0.918 3.216
28 C22 C C22 S N N 0 0.016 -2.599 5.958
29 C23 C C23 R N N 0 0.423 -3.395 7.203
30 C24 C C24 S N N 0 -0.281 -4.758 7.237
31 C25 C C25 N N N 0 -1.786 -4.589 7.012
32 C26 C C26 R N N 0 -2.043 -3.766 5.749
33 O9 O O9 N N N 0 -1.403 -2.493 5.866
34 N1 N N1 N N N 0 -0.05 -5.431 8.516
35 C27 C C27 N N N 0 -3.532 -3.521 5.549
36 O8 O O8 N N N 0 1.837 -3.578 7.164
37 C28 C C28 N N N 0 -0.609 -4.644 9.614
38 C14 C C14 R N N 0 2.136 0.167 1.085
39 C15 C C15 N N N 0 3.054 -0.191 -0.089
40 C16 C C16 R N N 0 2.685 -1.539 -0.733
41 C17 C C17 S N N 0 1.17 -1.573 -1.018
42 C18 C C18 S N N 0 0.353 -1.178 0.22
43 O4 O O4 N N N 0 0.763 0.105 0.701
44 O5 O O5 N N N 0 3.039 -2.602 0.157
45 O6 O O6 N N N 0 0.764 -2.868 -1.451
46 C20 C C20 N N N 0 4.429 -2.596 0.434
47 C29 C C29 N N N 0 1.38 -5.655 8.722
48 C21 C C21 N N N 0 -1.138 -1.085 -0.097
49 C37 C C37 N N N 0 4.543 1.095 7.269
50 C31 C C31 N N N 0 3.114 -1.93 4.845
51 C19 C C19 N N N 0 3.509 -1.759 -2.004
52 C38 C C38 N N N 0 -0.462 -0.129 2.368
53 H10 H H10 N N N 0 1.835 3.919 6.442
54 H11 H H11 N N N 0 2.798 4.076 3.907
55 H13 H H13 N N N 0 5.754 3.02 5.841
56 H2 H H2 N N N 0 4.903 -0.603 3.125
57 H3 H H3 N N N 0 2.381 1.086 3.233
58 H4 H H4 N N N 0 2.741 0.046 5.491
59 H5 H H5 N N N 0 0.556 -1.505 4.028
60 H71 H 1H7 N N N 0 1.486 1.936 5.152
61 H72 H 2H7 N N N 0 0.502 1.393 6.499
62 H8 H H8 N N N 0 -1.166 2.856 4.575
63 H341 H 1H34 N N N 0 2.085 6.454 6.823
64 H342 H 2H34 N N N 0 0.826 6.675 5.593
65 H343 H 3H34 N N N 0 0.459 5.795 7.089
66 H331 H 1H33 N N N 0 -2.161 3.391 6.488
67 H332 H 2H33 N N N 0 -0.859 2.601 7.399
68 H333 H 3H33 N N N 0 -0.742 4.325 6.997
69 H351 H 1H35 N N N 0 3.682 5.979 6.909
70 H352 H 2H35 N N N 0 5.06 4.968 7.386
71 H353 H 3H35 N N N 0 5.291 6.296 6.232
72 HO12 H HO12 N N N 0 3.431 6.638 4.682
73 HO13 H HO13 N N N 0 6.123 4.694 4.74
74 H361 H 1H36 N N N 0 2.993 2.552 6.963
75 H362 H 2H36 N N N 0 4.388 3.155 7.862
76 H301 H 1H30 N N N 0 5.046 2.164 2.169
77 H302 H 2H30 N N N 0 5.552 0.657 1.382
78 H303 H 3H30 N N N 0 3.867 1.199 1.26
79 H321 H 1H32 N N N 0 -2.146 0.338 4.068
80 H322 H 2H32 N N N 0 -1.577 -0.901 5.204
81 H323 H 3H32 N N N 0 -1.853 0.759 5.767
82 H22 H H22 N N N 0 0.416 -3.051 5.042
83 H23 H H23 N N N 0 0.189 -2.815 8.105
84 H24 H H24 N N N 0 0.136 -5.4 6.451
85 H251 H 1H25 N N N 0 -2.274 -5.568 6.933
86 H252 H 2H25 N N N 0 -2.226 -4.071 7.876
87 H26 H H26 N N N 0 -1.656 -4.283 4.863
88 H271 H 1H27 N N N 0 -4.119 -4.315 6.02
89 H272 H 2H27 N N N 0 -3.828 -2.565 5.993
90 H273 H 3H27 N N N 0 -3.778 -3.497 4.483
91 HO8 H HO8 N N N 0 2.229 -2.692 7.141
92 H281 H 1H28 N N N 0 0.183 -4.354 10.31
93 H282 H 2H28 N N N 0 -1.356 -5.23 10.156
94 H283 H 3H28 N N N 0 -1.086 -3.74 9.227
95 H14 H H14 N N N 0 2.338 1.197 1.394
96 H151 H 1H15 N N N 0 2.966 0.596 -0.848
97 H152 H 2H15 N N N 0 4.093 -0.221 0.262
98 H17 H H17 N N N 0 0.95 -0.868 -1.829
99 H18 H H18 N N N 0 0.468 -1.923 1.017
100 HO6 H HO6 N N N 0 0.226 -3.243 -0.737
101 H201 H 1H20 N N N 0 4.687 -3.476 1.027
102 H202 H 2H20 N N N 0 4.688 -1.686 0.981
103 H203 H 3H20 N N N 0 4.979 -2.62 -0.51
104 H291 H 1H29 N N N 0 1.534 -6.487 9.415
105 H292 H 2H29 N N N 0 1.847 -4.759 9.14
106 H293 H 3H29 N N N 0 1.867 -5.893 7.773
107 H211 H 1H21 N N N 0 -1.501 -0.065 0.06
108 H212 H 2H21 N N N 0 -1.327 -1.362 -1.138
109 H213 H 3H21 N N N 0 -1.71 -1.758 0.548
110 H371 H 1H37 N N N 0 4.236 0.437 6.451
111 H372 H 2H37 N N N 0 5.633 1.041 7.352
112 H373 H 3H37 N N N 0 4.109 0.713 8.198
113 H311 H 1H31 N N N 0 3.857 -2.102 4.061
114 H312 H 2H31 N N N 0 3.621 -1.962 5.814
115 H313 H 3H31 N N N 0 2.383 -2.744 4.811
116 H191 H 1H19 N N N 0 3.271 -0.999 -2.754
117 H192 H 2H19 N N N 0 4.579 -1.702 -1.783
118 H193 H 3H19 N N N 0 3.298 -2.743 -2.434
119 H381 H 1H38 N N N 0 -1.427 -0.5 2.719
120 H382 H 2H38 N N N 0 0.274 -0.937 2.371
121 H383 H 3H38 N N N 0 -0.57 0.258 1.352