Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : GRW

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 90


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C6 C C1 R N N 0 5.839 0.444 -0.173
2 C7 C C2 N N N 0 4.522 0.432 -0.907
3 C10 C C3 N N N 0 1.042 -0.104 0.033
4 C13 C C4 N N N 0 -2.572 0.43 0.152
5 C15 C C5 S N N 0 -4.985 0.117 0.284
6 C17 C C6 N Y N 0 -5.415 -2.3 0.635
7 C20 C C7 N Y N 0 -4.518 -4.847 0.041
8 C21 C C8 N N N 0 -4.034 -6.238 -0.279
9 C24 C C9 N Y N 0 -5.885 -2.954 -0.489
10 C26 C C10 N N N 0 -4.703 2.536 -0.27
11 C28 C C11 N N N 0 -4.239 5.219 -0.998
12 C23 C C12 N Y N 0 -5.436 -4.227 -0.786
13 C16 C C15 N N N 0 -5.9 -0.91 0.956
14 N22 N N1 N N N 0 -4.92 -7.223 0.356
15 C19 C C13 N Y N 0 -4.053 -4.196 1.168
16 C18 C C14 N Y N 0 -4.497 -2.92 1.462
17 C25 C C16 N N N 0 -5.547 1.523 0.505
18 S27 S S1 N N N 0 -5.369 4.203 -0.008
19 O30 O O1 N N N 0 -6.664 4.27 -0.589
20 O29 O O2 N N N 0 -5.205 4.547 1.361
21 N14 N N2 N N N 0 -3.643 0.03 0.866
22 C14 C C19 N N N 0 -2.03 1.749 2.758
23 O31 O O3 N N N 0 -2.707 0.774 -1.003
24 C12 C C17 S N N 0 -1.207 0.45 0.789
25 C32 C C18 R N N 0 -1.038 1.74 1.594
26 O33 O O4 N N N 0 0.295 1.813 2.104
27 N11 N N3 N N N 0 -0.18 0.387 -0.254
28 O39 O O5 N N N 0 1.261 -0.587 1.123
29 C9 C C20 S N N 0 2.136 -0.053 -1.002
30 C40 C C21 N N N 0 1.979 -1.228 -1.969
31 C41 C C22 N N N 0 0.641 -1.111 -2.702
32 C43 C C23 N N N 0 0.661 0.123 -3.606
33 C42 C C24 N N N 0 0.413 -2.363 -3.551
34 N8 N N4 N N N 0 3.44 -0.137 -0.34
35 O44 O O6 N N N 0 4.436 0.934 -2.007
36 N51 N N5 N N N 0 6.7 1.489 -0.733
37 N52 N N6 N N N 1 6.407 2.57 -0.638
38 N53 N N7 N N N -1 6.115 3.651 -0.542
39 C54 C C25 N N N 0 6.521 -0.916 -0.327
40 C55 C C26 N Y N 0 7.776 -0.946 0.506
41 C56 C C27 N Y N 0 8.978 -0.535 -0.04
42 C57 C C28 N Y N 0 10.129 -0.562 0.724
43 C58 C C29 N Y N 0 10.08 -1.0 2.034
44 C59 C C30 N Y N 0 8.878 -1.411 2.58
45 C60 C C31 N Y N 0 7.725 -1.379 1.817
46 H1 H H1 N N N 0 5.664 0.646 0.884
47 H2 H H2 N N N 0 -4.931 -0.089 -0.785
48 H3 H H3 N N N 0 -4.041 -6.385 -1.359
49 H4 H H4 N N N 0 -3.019 -6.365 0.098
50 H5 H H5 N N N 0 -6.602 -2.469 -1.135
51 H6 H H6 N N N 0 -3.673 2.497 0.083
52 H7 H H7 N N N 0 -4.732 2.296 -1.333
53 H8 H H8 N N N 0 -4.281 4.9 -2.04
54 H9 H H9 N N N 0 -4.533 6.266 -0.927
55 H10 H H10 N N N 0 -3.222 5.101 -0.624
56 H11 H H11 N N N 0 -5.803 -4.738 -1.664
57 H12 H H12 N N N 0 -4.616 -8.164 0.156
58 H13 H H13 N N N 0 -4.98 -7.067 1.351
59 H15 H H15 N N N 0 -3.343 -4.683 1.819
60 H16 H H16 N N N 0 -4.127 -2.408 2.338
61 H17 H H17 N N N 0 -5.883 -0.759 2.035
62 H18 H H18 N N N 0 -6.918 -0.785 0.587
63 H19 H H19 N N N 0 -6.577 1.562 0.152
64 H20 H H20 N N N 0 -5.518 1.763 1.568
65 H21 H H21 N N N 0 -3.526 -0.315 1.765
66 H22 H H22 N N N 0 -1.103 -0.409 1.454
67 H23 H H23 N N N 0 -1.228 2.598 0.949
68 H24 H H24 N N N 0 -1.813 0.916 3.427
69 H25 H H25 N N N 0 -1.94 2.687 3.306
70 H26 H H26 N N N 0 -3.045 1.65 2.372
71 H30 H H30 N N N 0 2.793 -1.213 -2.694
72 H27 H H27 N N N 0 0.978 1.812 1.419
73 H28 H H28 N N N 0 -0.38 0.698 -1.15
74 H29 H H29 N N N 0 2.069 0.884 -1.555
75 H31 H H31 N N N 0 2.007 -2.164 -1.411
76 H32 H H32 N N N 0 -0.164 -1.014 -1.974
77 H33 H H33 N N N 0 -0.314 0.244 -4.077
78 H34 H H34 N N N 0 0.89 1.007 -3.011
79 H35 H H35 N N N 0 1.423 -0.004 -4.376
80 H36 H H36 N N N 0 1.218 -2.459 -4.279
81 H37 H H37 N N N 0 0.398 -3.241 -2.906
82 H38 H H38 N N N 0 -0.541 -2.279 -4.073
83 H39 H H39 N N N 0 3.524 -0.602 0.507
84 H41 H H41 N N N 0 5.844 -1.702 0.008
85 H42 H H42 N N N 0 6.775 -1.079 -1.375
86 H43 H H43 N N N 0 9.017 -0.193 -1.064
87 H44 H H44 N N N 0 11.068 -0.242 0.297
88 H45 H H45 N N N 0 10.979 -1.022 2.631
89 H46 H H46 N N N 0 8.839 -1.753 3.604
90 H47 H H47 N N N 0 6.786 -1.696 2.245