Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : 8I5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 91


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C6 C C1 N N N 0 3.478 -3.201 -2.454
2 C14 C C2 R N N 0 -1.663 2.078 0.516
3 C15 C C3 R N N 0 -2.008 0.851 1.389
4 C16 C C4 S N N 0 -0.708 0.573 2.176
5 C10 C C5 R N N 0 2.922 0.87 -0.284
6 O11 O O1 N N N 0 0.693 1.775 -0.053
7 C12 C C6 S N N 0 2.482 3.311 -0.583
8 C13 C C7 S N N 0 -0.195 2.396 0.878
9 O1 O O2 N N N 0 2.541 -0.305 0.434
10 CH3 C C8 N N N 0 6.64 0.265 -0.211
11 C1 C C9 R N N 0 1.474 -1.037 -0.172
12 C11 C C10 R N N 0 2.074 2.053 0.187
13 C17 C C11 N N N 0 -1.034 0.119 3.6
14 C18 C C12 R N N 0 -3.745 -0.374 0.282
15 C19 C C13 S N N 0 -4.028 -1.724 -0.384
16 C2 C C14 S N N 0 0.953 -2.088 0.812
17 C20 C C15 R N N 0 -5.515 -1.805 -0.742
18 C21 C C16 S N N 0 -5.877 -0.623 -1.647
19 C22 C C17 S N N 0 -5.522 0.683 -0.933
20 C23 C C18 N N N 0 -5.825 1.867 -1.854
21 C3 C C19 R N N 0 2.076 -3.081 1.129
22 C4 C C20 S N N 0 2.575 -3.704 -0.178
23 C5 C C21 R N N 0 3.034 -2.591 -1.123
24 C7 C C22 R N N 0 3.96 3.609 -0.326
25 C8 C C23 N N N 0 4.808 2.426 -0.797
26 C9 C C24 S N N 0 4.401 1.168 -0.028
27 N19 N N1 N N N 0 -5.485 3.121 -1.168
28 N2 N N2 N N N 0 -0.18 -2.805 0.21
29 N23 N N3 N N N 0 -3.686 -2.81 0.543
30 N6 N N4 N N N 0 4.057 -2.153 -3.305
31 N7 N N5 N N N 0 4.352 4.817 -1.065
32 N9 N N6 N N N 0 5.215 0.032 -0.48
33 O12 O O3 N N N 0 1.69 4.416 -0.143
34 O14 O O4 N N N 0 -2.51 3.181 0.845
35 O16 O O5 N N N 0 -0.012 1.838 2.198
36 O17 O O6 N N N 0 0.173 -0.244 4.273
37 O18 O O7 N N N 0 -2.349 -0.268 0.568
38 O20 O O8 N N N 0 -6.298 -1.751 0.452
39 O21 O O9 N N N 0 -5.141 -0.715 -2.869
40 O22 O O10 N N N 0 -4.132 0.681 -0.6
41 O3 O O11 N N N 0 1.577 -4.108 1.989
42 O4 O O12 N N N 0 3.671 -4.579 0.098
43 O5 O O13 N N N 0 1.952 -1.686 -1.352
44 H1 H H1 N N N 0 4.226 -3.973 -2.268
45 H2 H H2 N N N 0 2.618 -3.644 -2.956
46 H3 H H3 N N N 0 -1.752 1.832 -0.542
47 H4 H H4 N N N 0 -2.825 1.086 2.072
48 H5 H H5 N N N 0 -0.11 -0.182 1.666
49 H6 H H6 N N N 0 2.763 0.711 -1.351
50 H7 H H7 N N N 0 2.323 3.152 -1.649
51 H8 H H8 N N N 0 -0.032 3.474 0.896
52 H9 H H9 N N N 0 7.228 -0.544 -0.642
53 H10 H H10 N N N 0 6.944 1.212 -0.657
54 H11 H H11 N N N 0 6.805 0.301 0.866
55 H12 H H12 N N N 0 0.667 -0.353 -0.434
56 H13 H H13 N N N 0 2.233 2.212 1.253
57 H14 H H14 N N N 0 -1.519 0.934 4.139
58 H15 H H15 N N N 0 -1.702 -0.741 3.564
59 H17 H H17 N N N 0 -3.429 -1.815 -1.291
60 H16 H H16 N N N 0 -4.313 -0.3 1.209
61 H18 H H18 N N N 0 0.628 -1.599 1.73
62 H19 H H19 N N N 0 -5.713 -2.74 -1.267
63 H20 H H20 N N N 0 -6.945 -0.644 -1.863
64 H21 H H21 N N N 0 -6.114 0.771 -0.021
65 H22 H H22 N N N 0 -5.234 1.779 -2.765
66 H23 H H23 N N N 0 -6.885 1.867 -2.107
67 H24 H H24 N N N 0 2.896 -2.558 1.622
68 H25 H H25 N N N 0 1.768 -4.268 -0.645
69 H26 H H26 N N N 0 3.868 -2.053 -0.673
70 H27 H H27 N N N 0 4.119 3.768 0.74
71 H28 H H28 N N N 0 4.649 2.267 -1.864
72 H29 H H29 N N N 0 5.861 2.638 -0.615
73 H30 H H30 N N N 0 4.56 1.327 1.039
74 H31 H H31 N N N 0 -5.676 3.918 -1.756
75 H32 H H32 N N N 0 -5.973 3.195 -0.288
76 H34 H H34 N N N 0 -0.932 -2.17 -0.013
77 H35 H H35 N N N 0 0.112 -3.321 -0.607
78 H37 H H37 N N N 0 -2.709 -2.777 0.794
79 H38 H H38 N N N 0 -4.271 -2.782 1.365
80 H40 H H40 N N N 0 4.444 -2.546 -4.149
81 H41 H H41 N N N 0 3.374 -1.442 -3.517
82 H43 H H43 N N N 0 5.325 5.035 -0.912
83 H44 H H44 N N N 0 4.154 4.719 -2.049
84 H46 H H46 N N N 0 5.058 -0.158 -1.459
85 H48 H H48 N N N 0 1.894 5.249 -0.589
86 H49 H H49 N N N 0 -2.336 3.979 0.326
87 H50 H H50 N N N 0 0.042 -0.542 5.183
88 H51 H H51 N N N 0 -7.252 -1.798 0.299
89 H52 H H52 N N N 0 -5.313 -1.522 -3.372
90 H53 H H53 N N N 0 2.237 -4.772 2.231
91 H54 H H54 N N N 0 3.452 -5.307 0.696