Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : Q6B

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 123


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 S N N 0 -2.37 4.099 0.31
2 C14 C C2 N N N 0 1.218 3.457 0.835
3 C15 C C3 N N N 0 2.369 4.187 0.888
4 C16 C C4 N N N 0 3.595 3.546 1.12
5 C17 C C5 N N N 0 4.748 4.276 1.173
6 C18 C C6 N N N 0 5.977 3.632 1.381
7 C19 C C7 N N N 0 6.385 2.648 0.53
8 O13 O O1 N N N 0 -0.051 5.308 0.449
9 O25 O O2 N N N 0 11.9 -1.094 -1.437
10 O27 O O3 N N N 0 9.987 -3.225 -1.681
11 O30 O O4 N N N 0 10.997 -5.621 -1.368
12 C02 C C8 N N N 0 -3.749 1.044 -3.037
13 C04 C C9 R N N 0 -5.239 0.483 -1.212
14 C05 C C10 N N N 0 -4.718 -0.366 -0.049
15 C06 C C11 N N N 0 -5.146 0.22 1.267
16 C07 C C12 N N N 0 -4.541 1.27 1.771
17 C08 C C13 N N N 0 -3.428 1.934 1.008
18 C09 C C14 S N N 0 -3.507 3.454 1.096
19 C12 C C15 N N N 0 -0.014 4.101 0.603
20 C20 C C16 N N N 0 7.617 2.003 0.739
21 C21 C C17 N N N 0 8.022 1.022 -0.11
22 C22 C C18 N N N 0 9.264 0.372 0.101
23 C23 C C19 N N N 0 9.664 -0.593 -0.734
24 C24 C C20 S N N 0 10.918 -1.374 -0.437
25 C26 C C21 S N N 0 10.599 -2.871 -0.44
26 C28 C C22 N N N 0 11.893 -3.668 -0.264
27 C29 C C23 S N N 0 11.563 -5.156 -0.141
28 C31 C C24 N N N 0 12.842 -5.94 0.16
29 C32 C C25 N N N 0 10.135 0.768 1.266
30 C33 C C26 N N N 0 6.847 4.029 2.546
31 C34 C C27 N N N 0 3.641 2.051 1.309
32 C35 C C28 N N N 0 -2.628 4.182 -1.185
33 C36 C C29 N N N 0 -2.468 2.824 -1.867
34 C37 C C30 N N N 0 -3.734 2.501 -2.663
35 C38 C C31 N N N 0 -4.865 3.961 0.619
36 C39 C C32 N N N 0 -4.952 1.763 3.136
37 C40 C C33 S N N 0 -6.726 0.178 -1.426
38 C41 C C34 N N N 0 -7.297 1.133 -2.477
39 C42 C C35 N N N 0 -6.887 -1.265 -1.908
40 C43 C C36 N N N 0 -8.353 -1.604 -1.998
41 C44 C C37 N N N 0 -8.959 -2.166 -0.982
42 C45 C C38 R N N 0 -8.233 -2.337 0.328
43 C46 C C39 N N N 0 -9.057 -1.708 1.454
44 C47 C C40 R N N 0 -8.036 -3.827 0.611
45 C49 C C41 N N N 0 -7.185 -3.999 1.871
46 C50 C C42 R N N 0 -6.883 -5.483 2.084
47 C52 C C43 N N N 0 -5.93 -5.645 3.27
48 C53 C C44 N N N 0 -9.121 -1.297 -3.258
49 O01 O O5 N N N 0 -3.052 0.678 -3.966
50 O03 O O6 N N N 0 -4.503 0.144 -2.409
51 O11 O O7 N N N 0 -1.154 3.379 0.55
52 O48 O O8 N N N 0 -9.308 -4.447 0.808
53 O51 O O9 N N N 0 -8.1 -6.183 2.352
54 H1 H H1 N N N 0 -2.227 5.122 0.696
55 H2 H H2 N N N 0 1.25 2.386 0.971
56 H3 H H3 N N N 0 2.337 5.257 0.752
57 H4 H H4 N N N 0 4.713 5.349 1.055
58 H5 H H5 N N N 0 5.761 2.364 -0.305
59 H6 H H6 N N N 0 11.625 -1.326 -2.335
60 H7 H H7 N N N 0 10.538 -3.049 -2.456
61 H8 H H8 N N N 0 11.58 -5.52 -2.133
62 H9 H H9 N N N 0 -5.123 1.535 -0.971
63 H10 H H10 N N N 0 -5.115 -1.38 -0.142
64 H11 H H11 N N N 0 -3.629 -0.41 -0.095
65 H12 H H12 N N N 0 -5.966 -0.229 1.815
66 H13 H H13 N N N 0 -2.47 1.594 1.413
67 H14 H H14 N N N 0 -3.489 1.627 -0.038
68 H15 H H15 N N N 0 -3.385 3.748 2.152
69 H16 H H16 N N N 0 8.24 2.287 1.573
70 H17 H H17 N N N 0 7.399 0.738 -0.944
71 H18 H H18 N N N 0 9.087 -0.813 -1.62
72 H19 H H19 N N N 0 11.303 -1.086 0.541
73 H20 H H20 N N N 0 9.918 -3.098 0.38
74 H21 H H21 N N N 0 12.539 -3.509 -1.127
75 H22 H H22 N N N 0 12.406 -3.334 0.639
76 H23 H H23 N N N 0 10.847 -5.304 0.668
77 H27 H H27 N N N 0 9.929 0.113 2.112
78 H24 H H24 N N N 0 13.274 -5.586 1.096
79 H25 H H25 N N N 0 12.606 -7.001 0.247
80 H26 H H26 N N N 0 13.557 -5.792 -0.649
81 H28 H H28 N N N 0 11.184 0.678 0.983
82 H29 H H29 N N N 0 9.921 1.8 1.544
83 H30 H H30 N N N 0 6.597 3.416 3.412
84 H31 H H31 N N N 0 7.895 3.878 2.285
85 H32 H H32 N N N 0 6.68 5.079 2.784
86 H33 H H33 N N N 0 3.813 1.568 0.347
87 H34 H H34 N N N 0 4.449 1.796 1.994
88 H35 H H35 N N N 0 2.692 1.709 1.723
89 H36 H H36 N N N 0 -3.596 4.608 -1.42
90 H37 H H37 N N N 0 -1.875 4.864 -1.623
91 H38 H H38 N N N 0 -1.621 2.877 -2.562
92 H39 H H39 N N N 0 -2.267 2.046 -1.141
93 H40 H H40 N N N 0 -3.732 3.101 -3.58
94 H41 H H41 N N N 0 -4.616 2.759 -2.086
95 H42 H H42 N N N 0 -5.651 3.534 1.242
96 H43 H H43 N N N 0 -4.893 5.048 0.693
97 H44 H H44 N N N 0 -5.021 3.663 -0.418
98 H45 H H45 N N N 0 -5.747 1.127 3.527
99 H46 H H46 N N N 0 -4.095 1.728 3.808
100 H47 H H47 N N N 0 -5.313 2.789 3.059
101 H48 H H48 N N N 0 -7.263 0.31 -0.486
102 H49 H H49 N N N 0 -6.852 0.913 -3.447
103 H50 H H50 N N N 0 -8.377 1.006 -2.535
104 H51 H H51 N N N 0 -7.066 2.161 -2.197
105 H52 H H52 N N N 0 -6.428 -1.373 -2.89
106 H53 H H53 N N N 0 -6.401 -1.94 -1.203
107 H54 H H54 N N N 0 -9.979 -2.507 -1.082
108 H55 H H55 N N N 0 -7.261 -1.846 0.272
109 H56 H H56 N N N 0 -9.198 -0.646 1.252
110 H57 H H57 N N N 0 -10.029 -2.199 1.51
111 H58 H H58 N N N 0 -8.532 -1.832 2.401
112 H59 H H59 N N N 0 -7.531 -4.294 -0.235
113 H60 H H60 N N N 0 -6.25 -3.451 1.755
114 H61 H H61 N N N 0 -7.729 -3.611 2.732
115 H62 H H62 N N N 0 -6.418 -5.892 1.187
116 H63 H H63 N N N 0 -6.395 -5.236 4.168
117 H64 H H64 N N N 0 -5.715 -6.703 3.422
118 H65 H H65 N N N 0 -5.002 -5.111 3.066
119 H66 H H66 N N N 0 -9.069 -2.151 -3.933
120 H67 H H67 N N N 0 -10.163 -1.095 -3.008
121 H68 H H68 N N N 0 -8.688 -0.423 -3.743
122 H69 H H69 N N N 0 -9.814 -4.081 1.546
123 H70 H H70 N N N 0 -8.568 -5.871 3.138