Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : MIT

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 72


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C C C N N N 0 -0.827 1.303 -1.186
2 C1 C C1 N N N 0 -0.254 -1.544 2.608
3 C10 C C10 N N N 0 -2.01 -1.346 4.384
4 C11 C C11 R N N 0 -2.616 2.852 -0.558
5 C2 C C2 R N N 0 -1.762 -1.516 2.884
6 C21 C C21 N N N 0 -3.648 2.548 0.532
7 C3 C C3 N N N 0 -2.354 -2.845 2.409
8 C31 C C31 R N N 0 -3.044 2.858 1.903
9 C4 C C4 N Y N 0 -1.841 -3.163 1.027
10 C41 C C41 N N N 0 -1.82 1.969 2.136
11 C5 C C5 N Y N 0 -2.501 -4.136 0.293
12 C51 C C51 N N N 0 -0.769 2.263 1.066
13 C6 C C6 N Y N 0 -2.069 -4.47 -0.975
14 C61 C C61 N N N 0 -3.154 2.42 -1.898
15 C7 C C7 N Y N 0 -0.969 -3.831 -1.519
16 C71 C C71 N N N 0 -2.623 4.328 1.953
17 C8 C C8 N Y N 0 -0.31 -2.861 -0.796
18 C9 C C9 N Y N 0 -0.743 -2.517 0.485
19 CA C CA S N N 0 0.382 0.474 -0.834
20 CB C CB N N N 0 1.604 1.385 -0.701
21 CD C CD N N N 0 4.006 1.48 -0.022
22 CG C CG N N N 0 2.817 0.553 -0.282
23 CZ C CZ N N N 0 6.355 1.3 0.665
24 H H H N N N 0 0.504 -0.266 -2.82
25 H1 H H1 N N N 0 0.218 -0.673 3.062
26 H10 H H10 N N N 0 -1.564 -0.411 4.723
27 H10A H H10A N N N 0 -3.083 -1.326 4.575
28 H10B H H10B N N N 0 -1.561 -2.18 4.924
29 H11 H H11 N N N 0 -2.405 3.921 -0.574
30 H1A H H1A N N N 0 0.177 -2.454 3.026
31 H2 H H2 N N N 0 -2.221 -0.691 2.339
32 H21 H H21 N N N 0 -4.534 3.164 0.376
33 H22 H H22 N N N 0 -3.926 1.495 0.487
34 H3 H H3 N N N 0 -2.062 -3.638 3.096
35 H31 H H31 N N N 0 -3.785 2.666 2.679
36 H3A H H3A N N N 0 -3.441 -2.769 2.383
37 H41 H H41 N N N 0 -1.403 2.175 3.122
38 H42 H H42 N N N 0 -2.114 0.922 2.075
39 H5 H H5 N N N 0 -3.359 -4.636 0.716
40 H51 H H51 N N N 0 0.059 1.562 1.168
41 H52 H H52 N N N 0 -0.405 3.283 1.185
42 H6 H H6 N N N 0 -2.589 -5.229 -1.541
43 H7 H H7 N N N 0 -0.628 -4.092 -2.51
44 H71 H H71 N N N 0 -3.495 4.962 1.788
45 H72 H H72 N N N 0 -2.192 4.55 2.93
46 H73 H H73 N N N 0 -1.882 4.521 1.177
47 HA H HA N N N 0 0.207 -0.04 0.112
48 HB2 H HB2 N N N 0 1.805 1.865 -1.659
49 HB3 H HB3 N N N 0 1.408 2.148 0.053
50 HD2 H HD2 N N N 0 4.242 2.033 -0.931
51 HD3 H HD3 N N N 0 3.754 2.18 0.774
52 HE H HE N N N 0 5.096 -0.282 0.442
53 HG2 H HG2 N N N 0 2.582 0.0 0.627
54 HG3 H HG3 N N N 0 3.07 -0.147 -1.078
55 HH11 H HH11 N N N 0 5.685 3.153 0.314
56 HH12 H HH12 N N N 0 7.296 3.063 0.782
57 HH21 H HH21 N N N 0 8.253 1.013 1.233
58 HH22 H HH22 N N N 0 7.339 -0.389 1.093
59 HN H HN N N N 0 0.941 -1.553 0.936
60 HO21 H HO21 N N N 0 -3.847 3.017 -3.653
61 N N N N N N 0 -0.043 -1.518 1.159
62 N1 N N1 N N N 0 0.621 -0.513 -1.889
63 N2 N N2 N N N 0 -1.382 2.111 -0.261
64 NE N NE N N N 0 5.168 0.683 0.379
65 NH1 N NH1 N N N 0 6.454 2.626 0.579
66 NH2 N NH2 N N N 1 7.411 0.576 1.03
67 O O O N N N 0 -1.299 1.243 -2.301
68 O1 O O1 N N N 0 2.043 -1.923 -0.446
69 O11 O O11 N N N 0 -3.267 1.245 -2.154
70 O2 O O2 N N N 0 1.369 -2.714 -2.719
71 O21 O O21 N N N 0 -3.507 3.342 -2.808
72 S S S N N N 0 1.091 -2.051 -1.493