Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : GR6

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 86


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 3.91 3.376 0.553
2 C2 C C2 N Y N 0 4.731 2.447 -0.068
3 C3 C C3 N Y N 0 4.653 1.11 0.287
4 C4 C C4 N Y N 0 3.753 0.703 1.262
5 C5 C C5 N Y N 0 2.936 1.63 1.88
6 C6 C C6 N Y N 0 3.012 2.964 1.527
7 S7 S S7 N N N 0 3.652 -0.998 1.712
8 O8 O O8 N N N 0 4.835 -1.616 1.223
9 O9 O O9 N N N 0 3.261 -1.033 3.077
10 N10 N N10 N N N 0 2.375 -1.638 0.832
11 C11 C C11 N N N 0 2.321 -3.129 0.826
12 C12 C C12 N N N 0 2.319 -3.599 -0.629
13 C13 C C13 N N N 0 3.493 -4.553 -0.859
14 C14 C C14 N N N 0 4.238 -4.147 -2.132
15 C15 C C15 N N N 0 1.396 -0.804 0.13
16 C16 C C16 R N N 0 0.033 -0.932 0.814
17 O17 O O17 N N N 0 0.107 -0.38 2.13
18 C18 C C18 S N N 0 -1.018 -0.174 0.002
19 N19 N N19 N N N 0 -2.342 -0.395 0.59
20 C20 C C20 N N N 0 -3.446 -0.279 -0.175
21 O21 O O21 N N N 0 -3.344 0.008 -1.351
22 O22 O O22 N N N 0 -4.663 -0.482 0.366
23 C23 C C23 R N N 0 -5.807 -0.341 -0.516
24 C24 C C24 N N N 0 -6.168 -1.697 -1.148
25 O25 O O25 N N N 0 -7.469 -2.062 -0.668
26 C26 C C26 R N N 0 -8.168 -0.853 -0.319
27 O27 O O27 N N N 0 -9.071 -1.137 0.759
28 C28 C C28 N N N 0 -8.411 -0.979 2.018
29 C29 C C29 N N N 0 -6.961 -0.534 1.733
30 C30 C C30 S N N 0 -7.06 0.062 0.289
31 C31 C C31 N N N 0 -0.696 1.321 0.019
32 C32 C C32 N Y N 0 -2.847 2.54 -0.37
33 C33 C C33 N Y N 0 -3.727 3.216 -1.194
34 C34 C C34 N Y N 0 -3.419 3.406 -2.528
35 C35 C C35 N Y N 0 -2.23 2.919 -3.038
36 C36 C C36 N Y N 0 -1.349 2.243 -2.215
37 C37 C C37 N Y N 0 -1.658 2.053 -0.881
38 O38 O O38 N N N 0 3.988 4.689 0.211
39 C39 C C39 N N N 0 3.112 5.589 0.891
40 O40 O O40 N N N 0 5.455 0.196 -0.32
41 C41 C C41 N N N 0 5.597 0.299 -1.738
42 C42 C C42 N N N 0 6.336 -0.933 -2.266
43 C43 C C43 N N N 0 5.34 -2.016 -2.588
44 C44 C C44 N N N 0 5.234 -3.064 -1.808
45 H2 H H2 N N N 0 5.431 2.765 -0.827
46 H5 H H5 N N N 0 2.237 1.312 2.639
47 H6 H H6 N N N 0 2.372 3.688 2.01
48 H11 H H11 N N N 0 3.193 -3.531 1.342
49 H11A H H11A N N N 0 1.411 -3.466 1.324
50 H12 H H12 N N N 0 1.383 -4.116 -0.843
51 H12A H H12A N N N 0 2.416 -2.737 -1.29
52 H13 H H13 N N N 0 4.173 -4.503 -0.009
53 H13A H H13A N N N 0 3.118 -5.571 -0.966
54 H14 H H14 N N N 0 4.761 -5.012 -2.539
55 H14A H H14A N N N 0 3.524 -3.776 -2.868
56 H15 H H15 N N N 0 1.72 0.236 0.157
57 H15A H H15A N N N 0 1.315 -1.133 -0.906
58 H16 H H16 N N N 0 -0.244 -1.984 0.877
59 HO17 H HO17 N N N 0 0.351 0.556 2.151
60 H18 H H18 N N N 0 -1.013 -0.535 -1.027
61 HN19 H HN19 N N N 0 -2.424 -0.624 1.528
62 H23 H H23 N N N 0 -5.6 0.396 -1.292
63 H24 H H24 N N N 0 -6.186 -1.607 -2.234
64 H24A H H24A N N N 0 -5.437 -2.45 -0.852
65 H26 H H26 N N N 0 -8.668 -0.397 -1.173
66 H28 H H28 N N N 0 -8.921 -0.219 2.611
67 H28A H H28A N N N 0 -8.409 -1.927 2.556
68 H29 H H29 N N N 0 -6.644 0.229 2.444
69 H29A H H29A N N N 0 -6.284 -1.387 1.752
70 H30 H H30 N N N 0 -7.272 1.13 0.266
71 H31 H H31 N N N 0 -0.788 1.702 1.036
72 H31A H H31A N N N 0 0.323 1.477 -0.336
73 H32 H H32 N N N 0 -3.086 2.395 0.673
74 H33 H H33 N N N 0 -4.656 3.596 -0.795
75 H34 H H34 N N N 0 -4.107 3.934 -3.171
76 H35 H H35 N N N 0 -1.99 3.067 -4.081
77 H36 H H36 N N N 0 -0.421 1.863 -2.613
78 H39 H H39 N N N 0 3.276 6.603 0.525
79 H39A H H39A N N N 0 2.078 5.3 0.706
80 H39B H H39B N N N 0 3.313 5.553 1.962
81 H41 H H41 N N N 0 4.61 0.356 -2.198
82 H41A H H41A N N N 0 6.165 1.196 -1.983
83 H42 H H42 N N N 0 6.888 -0.667 -3.167
84 H42A H H42A N N N 0 7.031 -1.292 -1.507
85 H43 H H43 N N N 0 4.713 -1.931 -3.464
86 H44 H H44 N N N 0 5.861 -3.151 -0.933