Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : I5Y

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 110


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C11 C C1 N N N 0 2.284 -3.931 2.343
2 C13 C C2 N Y N 0 1.635 -0.949 4.305
3 C14 C C3 N Y N 0 1.63 0.427 4.215
4 C15 C C4 N N N 0 2.305 1.967 0.595
5 C17 C C5 N N N 0 4.078 1.12 -0.846
6 C02 C C6 N N N 0 -0.208 3.35 0.261
7 C04 C C7 S N N 0 1.771 2.97 1.586
8 C05 C C8 N N N 0 2.166 2.55 3.0
9 C06 C C9 N Y N 0 2.183 1.046 3.11
10 C07 C C10 N Y N 0 2.757 0.288 2.106
11 C08 C C11 N Y N 0 2.755 -1.089 2.184
12 C20 C C15 N Y N 0 7.848 1.32 -0.831
13 C09 C C12 N Y N 0 2.191 -1.718 3.289
14 C18 C C13 N Y N 0 5.491 1.486 -1.219
15 C19 C C14 N Y N 0 6.552 0.984 -0.489
16 C21 C C16 N Y N 0 8.084 2.158 -1.904
17 C27 C C20 R N N 0 -1.701 3.477 0.086
18 C22 C C17 N N N 0 9.497 2.526 -2.277
19 C24 C C18 N Y N 0 7.024 2.66 -2.636
20 C25 C C19 N Y N 0 5.727 2.321 -2.296
21 C28 C C21 N N N 0 -2.037 3.653 -1.398
22 C29 C C22 N Y N 0 -2.342 2.303 -2.003
23 C30 C C23 N Y N 0 -3.202 1.442 -1.347
24 C31 C C24 N Y N 0 -3.459 0.19 -1.872
25 C32 C C25 N Y N 0 -2.854 -0.2 -3.061
26 C34 C C26 N N N 0 -3.773 -2.363 -2.801
27 C35 C C27 N N N 0 -3.716 -3.848 -3.053
28 C36 C C28 N N N 0 -2.958 -4.514 -1.901
29 C37 C C29 N N N 0 -2.743 -5.995 -2.206
30 C39 C C30 N N N 0 -0.605 -6.723 -1.45
31 C40 C C31 N N N 0 0.17 -7.299 -0.268
32 C42 C C32 N N N 0 1.123 -5.996 1.617
33 C43 C C33 N N N 0 1.157 -4.471 1.522
34 C44 C C34 N N N 0 -1.334 -6.168 1.259
35 C45 C C35 N N N 0 -2.123 -5.613 0.075
36 C47 C C36 N Y N 0 -2.027 0.685 -3.737
37 C48 C C37 N Y N 0 -1.774 1.937 -3.206
38 C51 C C38 N Y N 0 -4.909 3.235 0.937
39 C52 C C39 N Y N 0 -4.985 4.614 0.997
40 C53 C C40 N Y N 0 -6.032 5.276 0.384
41 C54 C C41 N Y N 0 -7.004 4.559 -0.289
42 C55 C C42 N Y N 0 -6.927 3.18 -0.349
43 C56 C C43 N Y N 0 -5.881 2.518 0.265
44 N03 N N1 N N N 0 0.296 3.024 1.487
45 N10 N N2 N N N 0 2.154 -3.105 3.365
46 N16 N N3 N N N 0 3.559 2.095 0.117
47 N23 N N4 N N N 0 10.019 1.548 -3.242
48 N33 N N5 N N N 0 -3.046 -1.501 -3.546
49 N38 N N6 N N N 0 -2.047 -6.621 -1.039
50 N41 N N7 N N N 0 -0.004 -6.563 0.942
51 N49 N N8 N N N 0 -2.355 2.268 0.593
52 O01 O O1 N N N 0 0.536 3.534 -0.679
53 O12 O O2 N N N 0 3.407 -4.284 2.05
54 O26 O O3 N N N 0 1.607 1.046 0.229
55 O46 O O4 N N N 0 -4.484 -1.934 -1.917
56 O57 O O5 N N N 0 -3.088 3.256 2.733
57 O58 O O6 N N N 0 -4.02 1.068 1.963
58 S50 S S1 N N N 0 -3.57 2.392 1.712
59 H131 H H1 N N N 0 1.205 -1.432 5.17
60 H141 H H2 N N N 0 1.194 1.02 5.006
61 H171 H H3 N N N 0 3.454 1.124 -1.739
62 H172 H H4 N N N 0 4.067 0.126 -0.399
63 H041 H H5 N N N 0 2.188 3.953 1.368
64 H052 H H6 N N N 0 3.158 2.94 3.229
65 H051 H H7 N N N 0 1.447 2.956 3.711
66 H071 H H8 N N N 0 3.209 0.776 1.256
67 H081 H H9 N N N 0 3.19 -1.678 1.39
68 H191 H H10 N N N 0 6.367 0.328 0.35
69 H201 H H11 N N N 0 8.677 0.927 -0.26
70 H222 H H12 N N N 0 9.509 3.519 -2.725
71 H271 H H16 N N N 0 -2.058 4.343 0.642
72 H221 H H13 N N N 0 10.121 2.522 -1.384
73 H241 H H14 N N N 0 7.208 3.316 -3.474
74 H251 H H15 N N N 0 4.899 2.71 -2.869
75 H282 H H17 N N N 0 -2.907 4.302 -1.5
76 H281 H H18 N N N 0 -1.187 4.099 -1.914
77 H301 H H19 N N N 0 -3.673 1.748 -0.425
78 H311 H H20 N N N 0 -4.129 -0.485 -1.359
79 H351 H H21 N N N 0 -4.727 -4.25 -3.105
80 H352 H H22 N N N 0 -3.198 -4.039 -3.993
81 H362 H H23 N N N 0 -1.991 -4.027 -1.773
82 H361 H H24 N N N 0 -3.536 -4.414 -0.982
83 H371 H H25 N N N 0 -3.707 -6.481 -2.363
84 H372 H H26 N N N 0 -2.129 -6.1 -3.1
85 H391 H H27 N N N 0 -0.22 -5.734 -1.699
86 H392 H H28 N N N 0 -0.511 -7.384 -2.312
87 H401 H H29 N N N 0 -0.159 -8.325 -0.102
88 H402 H H30 N N N 0 1.23 -7.313 -0.519
89 H421 H H31 N N N 0 2.036 -6.397 1.177
90 H422 H H32 N N N 0 1.085 -6.283 2.668
91 H432 H H33 N N N 0 0.214 -4.064 1.889
92 H431 H H34 N N N 0 1.294 -4.176 0.481
93 H441 H H35 N N N 0 -1.293 -5.405 2.036
94 H442 H H36 N N N 0 -1.867 -7.033 1.655
95 H451 H H37 N N N 0 -3.162 -5.459 0.364
96 H452 H H38 N N N 0 -1.685 -4.669 -0.25
97 H471 H H39 N N N 0 -1.581 0.396 -4.678
98 H481 H H40 N N N 0 -1.133 2.628 -3.734
99 H521 H H41 N N N 0 -4.226 5.174 1.523
100 H531 H H42 N N N 0 -6.092 6.353 0.432
101 H541 H H43 N N N 0 -7.823 5.076 -0.767
102 H551 H H44 N N N 0 -7.687 2.62 -0.875
103 H561 H H45 N N N 0 -5.821 1.441 0.218
104 H031 H H46 N N N 0 -0.278 2.84 2.247
105 H101 H H47 N N N 0 2.023 -3.5 4.241
106 H161 H H48 N N N 0 4.117 2.831 0.41
107 H232 H H49 N N N 0 9.42 1.485 -4.052
108 H1 H H50 N N N 0 10.966 1.772 -3.508
109 H331 H H52 N N N 0 -2.665 -1.778 -4.394
110 H491 H H55 N N N 0 -2.077 1.396 0.273