Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 8F5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 127


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O4 O O1 N N N 0 7.312 3.322 1.294
2 C15 C C1 N N N 0 6.611 3.117 2.257
3 O5 O O2 N N N 0 7.166 2.966 3.47
4 C14 C C2 N N N 0 5.115 3.036 2.097
5 C13 C C3 N N N 0 4.747 3.248 0.627
6 C12 C C4 N N N 0 3.269 3.024 0.442
7 C11 C C5 N N N 0 2.667 1.917 -0.005
8 C19 C C6 R N N 0 3.446 0.707 -0.446
9 C20 C C7 N N N 0 4.809 0.71 0.248
10 C21 C C8 N N N 0 2.727 -0.566 -0.108
11 N1 N N1 N N N 0 1.61 -0.633 0.483
12 C26 C C9 R N N 0 3.272 -1.937 -0.437
13 C27 C C10 N N N 0 4.607 -2.162 0.275
14 C28 C C11 N N N 0 3.444 -2.09 -1.949
15 C29 C C12 N N N 0 4.665 -1.289 -2.407
16 C30 C C13 N N N 0 4.753 -1.324 -3.911
17 O8 O O3 N N N 0 5.752 -0.684 -4.54
18 O9 O O4 N N N 0 3.925 -1.927 -4.551
19 C23 C C14 R N N 0 2.215 -2.929 0.083
20 C24 C C15 N N N 0 2.805 -3.828 1.172
21 C25 C C16 N N N 0 3.704 -4.859 0.54
22 O6 O O5 N N N 0 3.832 -4.894 -0.661
23 O7 O O6 N N N 0 4.363 -5.738 1.311
24 C22 C C17 R N N 0 1.133 -2.005 0.667
25 C31 C C18 R N N 0 -0.182 -2.187 -0.095
26 N2 N N2 N N N 0 -0.939 -0.928 -0.053
27 C32 C C19 N N N 0 0.094 -2.576 -1.546
28 C38 C C20 S N N 0 -1.061 -3.255 0.578
29 C39 C C21 N N N 0 -1.01 -4.571 -0.202
30 C40 C C22 N N N 0 -0.635 -3.471 2.032
31 C41 C C23 N N N 0 -1.576 -4.447 2.691
32 O13 O O7 N N N 0 -2.492 -4.921 2.062
33 O12 O O8 N N N 0 -1.395 -4.79 3.976
34 C16 C C24 N N N 0 2.15 4.002 0.729
35 C18 C C25 N N N 0 2.295 5.26 -0.129
36 C17 C C26 N N N 0 2.113 4.362 2.216
37 C10 C C27 N N N 0 0.906 3.218 0.333
38 N N N3 N N N 0 1.335 2.037 -0.043
39 C9 C C28 N N N 0 -0.395 3.727 0.346
40 C8 C C29 N N N 0 -1.52 2.97 0.273
41 N3 N N4 N N N 0 -1.609 1.645 0.241
42 C4 C C30 S N N 0 -2.927 3.55 0.239
43 C5 C C31 N N N 0 -3.239 4.142 -1.136
44 C6 C C32 N N N 0 -2.345 5.36 -1.381
45 C7 C C33 N N N 0 -2.652 5.944 -2.736
46 O2 O O9 N N N 0 -3.498 5.438 -3.434
47 O3 O O10 N N N 0 -1.984 7.026 -3.167
48 C2 C C34 S N N 0 -3.802 2.311 0.513
49 C3 C C35 N N N 0 -4.912 2.191 -0.533
50 C1 C C36 N N N 0 -4.393 2.366 1.923
51 C C C37 N N N 0 -5.292 3.569 2.044
52 O O O11 N N N 0 -6.019 3.755 3.157
53 O1 O O12 N N N 0 -5.36 4.367 1.139
54 C46 C C38 N N N 0 -2.82 1.163 0.387
55 C42 C C39 N N N 0 -3.17 -0.191 0.442
56 C43 C C40 N N N 0 -4.612 -0.582 0.664
57 C44 C C41 N N N 0 -5.315 -0.682 -0.665
58 C45 C C42 N N N 0 -6.0 -1.758 -0.965
59 C33 C C43 N N N 0 -2.236 -1.15 0.294
60 C34 C C44 S N N 0 -2.471 -2.628 0.506
61 C35 C C45 N N N 0 -3.253 -3.215 -0.671
62 C36 C C46 N N N 0 -3.832 -4.574 -0.272
63 C37 C C47 N N N 0 -4.728 -5.081 -1.373
64 O10 O O13 N N N 0 -4.886 -4.424 -2.374
65 O11 O O14 N N N 0 -5.349 -6.264 -1.241
66 H1 H H1 N N N 0 8.129 3.03 3.524
67 H2 H H2 N N N 0 4.767 2.056 2.421
68 H3 H H3 N N N 0 4.643 3.808 2.704
69 H4 H H4 N N N 0 5.0 4.266 0.332
70 H5 H H5 N N N 0 5.302 2.542 0.009
71 H7 H H7 N N N 0 3.597 0.755 -1.525
72 H8 H H8 N N N 0 5.105 -0.314 0.473
73 H9 H H9 N N N 0 5.55 1.166 -0.408
74 H10 H H10 N N N 0 4.744 1.282 1.174
75 H14 H H14 N N N 0 4.84 -3.226 0.282
76 H15 H H15 N N N 0 5.394 -1.622 -0.251
77 H16 H H16 N N N 0 4.539 -1.797 1.299
78 H17 H H17 N N N 0 3.587 -3.142 -2.194
79 H18 H H18 N N N 0 2.554 -1.717 -2.456
80 H19 H H19 N N N 0 4.568 -0.256 -2.072
81 H20 H H20 N N N 0 5.567 -1.727 -1.98
82 H21 H H21 N N N 0 5.767 -0.735 -5.505
83 H22 H H22 N N N 0 1.812 -3.528 -0.733
84 H23 H H23 N N N 0 3.382 -3.221 1.87
85 H24 H H24 N N N 0 1.998 -4.328 1.707
86 H25 H H25 N N N 0 4.928 -6.38 0.86
87 H26 H H26 N N N 0 0.989 -2.211 1.726
88 H27 H H27 N N N 0 -0.564 -0.055 -0.247
89 H29 H H29 N N N 0 0.542 -3.569 -1.577
90 H30 H H30 N N N 0 -0.841 -2.581 -2.105
91 H31 H H31 N N N 0 0.78 -1.854 -1.991
92 H32 H H32 N N N 0 -0.035 -4.674 -0.677
93 H33 H H33 N N N 0 -1.173 -5.405 0.481
94 H34 H H34 N N N 0 -1.788 -4.57 -0.966
95 H35 H H35 N N N 0 0.379 -3.87 2.058
96 H36 H H36 N N N 0 -0.666 -2.521 2.565
97 H37 H H37 N N N 0 -2.024 -5.419 4.355
98 H38 H H38 N N N 0 2.261 4.986 -1.184
99 H39 H H39 N N N 0 1.48 5.948 0.094
100 H40 H H40 N N N 0 3.248 5.741 0.09
101 H41 H H41 N N N 0 3.061 4.818 2.503
102 H42 H H42 N N N 0 1.301 5.066 2.399
103 H43 H H43 N N N 0 1.951 3.46 2.805
104 H44 H H44 N N N 0 -0.515 4.81 0.426
105 H45 H H45 N N N 0 -3.057 4.299 1.021
106 H46 H H46 N N N 0 -3.051 3.393 -1.906
107 H47 H H47 N N N 0 -4.285 4.446 -1.173
108 H48 H H48 N N N 0 -2.533 6.109 -0.612
109 H49 H H49 N N N 0 -1.299 5.056 -1.345
110 H50 H H50 N N N 0 -2.216 7.364 -4.043
111 H51 H H51 N N N 0 -4.47 2.027 -1.515
112 H52 H H52 N N N 0 -5.559 1.351 -0.281
113 H53 H H53 N N N 0 -5.499 3.11 -0.547
114 H54 H H54 N N N 0 -4.969 1.461 2.111
115 H55 H H55 N N N 0 -3.586 2.441 2.652
116 H56 H H56 N N N 0 -6.524 4.577 3.22
117 H57 H H57 N N N 0 -4.653 -1.546 1.17
118 H58 H H58 N N N 0 -5.103 0.173 1.279
119 H59 H H59 N N N 0 -5.255 0.134 -1.371
120 H60 H H60 N N N 0 -6.128 -2.538 -0.229
121 H61 H H61 N N N 0 -6.435 -1.865 -1.948
122 H63 H H63 N N N 0 -3.008 -2.796 1.44
123 H64 H H64 N N N 0 -4.065 -2.539 -0.941
124 H65 H H65 N N N 0 -3.02 -5.282 -0.109
125 H66 H H66 N N N 0 -5.913 -6.547 -1.974
126 H6 H H6 N N N 0 -2.586 -3.341 -1.524
127 H11 H H11 N N N 0 -4.41 -4.467 0.646