Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1IN

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 96


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 2.022 -0.885 3.549
2 C2 C C2 S N N 0 2.021 -0.021 2.283
3 C3 C C3 N N N 0 3.307 -0.236 1.527
4 O4 O O4 N N N 0 -1.765 0.086 -7.314
5 O5 O O5 N N N 0 1.656 -0.346 6.191
6 C7 C C7 N N N 0 6.718 1.24 1.631
7 C8 C C8 N N N 0 -0.339 -0.017 2.143
8 C9 C C9 N N N 0 -0.494 -0.88 3.399
9 C10 C C10 N N N 0 0.959 0.447 0.233
10 C11 C C11 S N N 0 -0.151 0.049 -0.739
11 C12 C C12 N N N 0 0.065 0.757 -2.078
12 C13 C C13 R N N 0 -0.931 0.219 -3.107
13 C14 C C14 N N N 0 -2.352 0.608 -2.693
14 C15 C C15 N Y N 0 -3.333 0.077 -3.706
15 C16 C C16 N Y N 0 -3.802 -1.218 -3.6
16 C19 C C19 N Y N 0 -4.665 0.399 -5.669
17 C20 C C20 N Y N 0 -3.768 0.887 -4.737
18 C21 C C21 N N N 0 -0.623 0.807 -4.46
19 C22 C C22 S N N 0 0.501 0.721 -6.619
20 C24 C C24 N N N 0 0.19 -1.15 -8.123
21 C27 C C27 N N N 0 -0.511 -0.013 7.683
22 C30 C C30 S N N 0 1.91 0.251 -7.036
23 C31 C C31 N N N 0 0.642 -0.464 5.535
24 C32 C C32 N Y N 0 -2.501 -0.961 8.887
25 C33 C C33 N Y N 0 -3.738 -0.774 9.484
26 C34 C C34 N Y N 0 -4.285 0.494 9.517
27 C35 C C35 N Y N 0 -2.463 1.378 8.418
28 N1 N N1 N N N 0 0.72 -0.732 4.217
29 O1 O O1 N N N 0 3.361 -1.068 0.647
30 N2 N N2 N N N 0 4.397 0.496 1.83
31 C4 C C4 N N N 0 5.647 0.288 1.095
32 C5 C C5 N N N 0 6.112 -1.158 1.28
33 C6 C C6 N N N 0 5.417 0.564 -0.391
34 N3 N N3 N N N 0 0.886 -0.397 1.432
35 O2 O O2 N N N 0 -1.418 0.429 -0.198
36 C17 C C17 N Y N 0 -4.702 -1.705 -4.529
37 C18 C C18 N Y N 0 -5.134 -0.897 -5.563
38 O3 O O3 N N N 0 -1.035 1.911 -4.749
39 N4 N N4 N N N 0 0.109 0.107 -5.348
40 C23 C C23 R N N 0 -0.417 0.228 -7.766
41 C25 C C25 N N N 0 1.713 -0.938 -7.992
42 C29 C C29 N N N 0 2.7 -0.192 -5.803
43 C26 C C26 N N N 0 -0.703 -0.311 6.195
44 C28 C C28 N Y N 0 -1.857 0.139 8.343
45 N5 N N5 N Y N 0 -3.644 1.519 8.989
46 H11A H 1H1 N N N 0 2.819 -0.556 4.216
47 H12 H 2H1 N N N 0 2.176 -1.93 3.279
48 H2 H H2 N N N 0 1.934 1.028 2.561
49 HO4 H HO4 N N N 0 -2.266 -0.298 -8.046
50 H71 H 1H7 N N N 0 7.649 1.084 1.084
51 H72 H 2H7 N N N 0 6.387 2.27 1.499
52 H73 H 3H7 N N N 0 6.882 1.043 2.69
53 H81 H 1H8 N N N 0 -0.282 1.033 2.429
54 H82 H 2H8 N N N 0 -1.199 -0.168 1.49
55 H91 H 1H9 N N N 0 -1.362 -0.548 3.968
56 H92 H 2H9 N N N 0 -0.618 -1.925 3.113
57 H101 H 1H10 N N N 0 1.928 0.314 -0.246
58 H102 H 2H10 N N N 0 0.835 1.492 0.518
59 H11 H H11 N N N 0 -0.13 -1.03 -0.892
60 H121 H 1H12 N N N 0 1.081 0.574 -2.426
61 H122 H 2H12 N N N 0 -0.087 1.829 -1.95
62 H13 H H13 N N N 0 -0.851 -0.866 -3.156
63 H141 H 1H14 N N N 0 -2.574 0.183 -1.714
64 H142 H 2H14 N N N 0 -2.431 1.694 -2.644
65 H16 H H16 N N N 0 -3.465 -1.85 -2.791
66 H19 H H19 N N N 0 -5.002 1.03 -6.478
67 H242 H 2H24 N N N 0 -0.15 -1.911 -7.421
68 H20 H H20 N N N 0 -3.402 1.9 -4.82
69 H22 H H22 N N N 0 0.468 1.808 -6.544
70 H241 H 1H24 N N N 0 -0.069 -1.428 -9.145
71 H271 H 1H27 N N N 0 0.031 -0.834 8.151
72 H272 H 2H27 N N N 0 0.056 0.91 7.798
73 H30 H H30 N N N 0 2.437 1.057 -7.547
74 H32 H H32 N N N 0 -2.05 -1.942 8.847
75 H33 H H33 N N N 0 -4.268 -1.609 9.918
76 H34 H H34 N N N 0 -5.248 0.649 9.979
77 H35 H H35 N N N 0 -1.968 2.241 7.996
78 HN2 H HN2 N N N 0 4.353 1.162 2.534
79 H51 H 1H5 N N N 0 6.276 -1.354 2.339
80 H52 H 2H5 N N N 0 5.348 -1.836 0.898
81 H53 H 3H5 N N N 0 7.042 -1.313 0.733
82 H61 H 1H6 N N N 0 5.086 1.594 -0.522
83 H62 H 2H6 N N N 0 6.347 0.408 -0.938
84 H63 H 3H6 N N N 0 4.654 -0.114 -0.773
85 HO2 H HO2 N N N 0 -1.394 1.388 -0.079
86 H17 H H17 N N N 0 -5.069 -2.718 -4.446
87 H18 H H18 N N N 0 -5.837 -1.278 -6.29
88 HN4 H HN4 N N N 0 0.377 -0.802 -5.146
89 H23 H H23 N N N 0 -0.366 0.906 -8.618
90 H251 H 1H25 N N N 0 2.143 -0.708 -8.967
91 H252 H 2H25 N N N 0 2.18 -1.831 -7.578
92 H291 H 1H29 N N N 0 3.689 -0.534 -6.109
93 H292 H 2H29 N N N 0 2.803 0.646 -5.116
94 H293 H 3H29 N N N 0 2.172 -1.006 -5.307
95 H261 H 1H26 N N N 0 -1.246 0.509 5.727
96 H262 H 2H26 N N N 0 -1.271 -1.235 6.08