Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : FKA

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 143


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 1.895 1.76 2.518
2 C1 C C1 N N N 0 2.323 0.863 3.41
3 O2 O O2 N N N 0 2.549 -0.28 3.08
4 C2 C C2 S N N 0 2.554 1.287 4.836
5 C3 C C3 N N N 0 3.837 0.618 5.356
6 C4 C C4 N N N 0 4.06 1.06 6.805
7 C5 C C5 N N N 0 2.883 0.578 7.658
8 C6 C C6 N N N 0 1.588 1.22 7.147
9 N1 N N1 N N N 0 1.44 0.897 5.715
10 C7 C C7 N N N 0 0.335 0.298 5.245
11 O3 O O3 N N N 0 0.307 -0.133 4.107
12 C8 C C8 N N N 0 -0.908 0.173 6.06
13 O4 O O4 N N N 0 -1.054 0.79 7.082
14 C9 C C9 R N N 0 -2.018 -0.736 5.579
15 C10 C C10 R N N 0 -2.761 -1.314 6.784
16 C11 C C11 N N N 0 -3.89 -2.222 6.272
17 C12 C C12 S N N 0 -4.774 -1.394 5.33
18 C13 C C13 R N N 0 -3.903 -0.812 4.214
19 O5 O O5 N N N 0 -2.9 0.03 4.768
20 O6 O O6 N N N 0 -1.454 -1.806 4.819
21 C34 C C34 N N N 0 -1.801 -2.154 7.635
22 O7 O O7 N N N 0 -5.783 -2.232 4.761
23 C42 C C42 N N N 0 -6.913 -2.168 5.633
24 C14 C C14 S N N 0 -4.788 0.038 3.289
25 O8 O O8 N N N 0 -5.011 1.3 3.955
26 C43 C C43 N N N 0 -6.291 1.771 3.53
27 C15 C C15 N N N 0 -4.065 0.319 1.986
28 C16 C C16 S N N 0 -4.408 -0.587 0.819
29 C35 C C35 N N N 0 -5.704 -1.366 1.007
30 C17 C C17 N N N 0 -4.535 0.263 -0.452
31 C18 C C18 N N N 0 -3.467 -0.113 -1.45
32 C36 C C36 N N N 0 -3.456 -1.505 -2.024
33 C19 C C19 N N N 0 -2.576 0.781 -1.799
34 C20 C C20 R N N 0 -1.487 0.5 -2.793
35 C37 C C37 N N N 0 -2.041 0.626 -4.217
36 C21 C C21 N N N 0 -0.378 1.515 -2.626
37 O9 O O9 N N N 0 -0.358 2.496 -3.329
38 C22 C C22 N N N 0 0.695 1.305 -1.589
39 C23 C C23 S N N 0 1.173 2.666 -1.086
40 O10 O O10 N N N 0 2.441 2.989 -1.655
41 C24 C C24 R N N 0 1.217 2.739 0.428
42 C40 C C40 N N N 0 -0.203 2.927 0.977
43 C25 C C25 S N N 0 1.844 1.51 1.087
44 C26 C C26 N N N 0 3.248 1.304 0.581
45 C41 C C41 N N N 0 4.273 2.397 0.738
46 C27 C C27 N N N 0 3.578 0.175 0.004
47 C28 C C28 R N N 0 5.02 -0.109 -0.325
48 C29 C C29 N N N 0 5.419 -1.466 0.257
49 C30 C C30 R N N 0 6.883 -1.755 -0.077
50 C31 C C31 R N N 0 7.063 -1.78 -1.596
51 C32 C C32 N N N 0 6.665 -0.423 -2.179
52 C33 C C33 N N N 0 5.2 -0.134 -1.844
53 O11 O O11 N N N 0 7.255 -3.023 0.467
54 C44 C C44 N N N 0 8.65 -2.949 0.769
55 O12 O O12 N N N 0 8.431 -2.05 -1.909
56 C51 C C51 N N N 0 -0.983 0.159 -5.218
57 O17 O O17 N N N 0 -1.548 0.162 -6.556
58 C50 C C50 N N N 0 -0.794 -0.214 -7.606
59 O23 O O23 N N N 0 0.358 -0.557 -7.434
60 N2 N N2 N N N 0 -1.319 -0.211 -8.847
61 C49 C C49 N N N 0 -0.499 -0.622 -9.99
62 C47 C C47 N Y N 0 -1.315 -0.529 -11.253
63 C46 C C46 N Y N 0 -1.331 0.644 -11.982
64 C45 C C45 N Y N 0 -2.079 0.729 -13.141
65 C39 C C39 N Y N 0 -2.813 -0.36 -13.571
66 C38 C C38 N Y N 0 -2.796 -1.535 -12.843
67 C48 C C48 N Y N 0 -2.044 -1.621 -11.687
68 H2 H H2 N N N 0 2.676 2.37 4.878
69 H31A H 1H3 N N N 0 3.72 -0.465 5.321
70 H32 H 2H3 N N N 0 4.681 0.921 4.744
71 H41 H 1H4 N N N 0 4.985 0.622 7.179
72 H42 H 2H4 N N N 0 4.124 2.147 6.849
73 H51 H 1H5 N N N 0 2.802 -0.507 7.582
74 H52 H 2H5 N N N 0 3.046 0.858 8.697
75 H61 H 1H6 N N N 0 0.754 0.82 7.721
76 H62 H 2H6 N N N 0 1.636 2.302 7.274
77 H10 H H10 N N N 0 -3.181 -0.513 7.388
78 H111 H 1H11 N N N 0 -4.486 -2.579 7.112
79 H112 H 2H11 N N N 0 -3.469 -3.07 5.732
80 H12 H H12 N N N 0 -5.243 -0.583 5.885
81 H13 H H13 N N N 0 -3.452 -1.614 3.639
82 HO6 H HO6 N N N 0 -0.743 -2.184 5.355
83 H341 H 1H34 N N N 0 -2.343 -2.582 8.479
84 H342 H 2H34 N N N 0 -1.383 -2.956 7.027
85 H343 H 3H34 N N N 0 -0.995 -1.521 8.005
86 H421 H 1H42 N N N 0 -7.713 -2.794 5.238
87 H431 H 1H43 N N N 0 -6.504 2.726 4.009
88 H422 H 2H42 N N N 0 -6.628 -2.524 6.623
89 H423 H 3H42 N N N 0 -7.26 -1.137 5.704
90 H14 H H14 N N N 0 -5.752 -0.426 3.185
91 H432 H 2H43 N N N 0 -6.289 1.9 2.447
92 H433 H 3H43 N N N 0 -7.056 1.046 3.808
93 H151 H 1H15 N N N 0 -4.253 1.364 1.693
94 H152 H 2H15 N N N 0 -2.977 0.247 2.169
95 H16 H H16 N N N 0 -3.588 -1.303 0.675
96 H351 H 1H35 N N N 0 -5.882 -1.991 0.133
97 H352 H 2H35 N N N 0 -5.624 -1.995 1.894
98 H353 H 3H35 N N N 0 -6.532 -0.668 1.13
99 H171 H 1H17 N N N 0 -5.517 0.101 -0.895
100 H172 H 2H17 N N N 0 -4.43 1.315 -0.191
101 H361 H 1H36 N N N 0 -2.579 -1.628 -2.66
102 H362 H 2H36 N N N 0 -3.422 -2.232 -1.213
103 H363 H 3H36 N N N 0 -4.358 -1.661 -2.615
104 H19 H H19 N N N 0 -2.632 1.767 -1.344
105 H20 H H20 N N N 0 -1.07 -0.491 -2.648
106 H371 H 1H37 N N N 0 -2.933 0.008 -4.316
107 H372 H 2H37 N N N 0 -2.296 1.667 -4.417
108 H221 H 1H22 N N N 0 0.289 0.718 -0.769
109 H222 H 2H22 N N N 0 1.528 0.771 -2.045
110 H23 H H23 N N N 0 0.453 3.426 -1.44
111 HO0 H HO0 N N N 0 2.32 3.008 -2.614
112 H24 H H24 N N N 0 1.806 3.617 0.724
113 H401 H 1H40 N N N 0 -0.626 3.851 0.583
114 H402 H 2H40 N N N 0 -0.824 2.085 0.674
115 H403 H 3H40 N N N 0 -0.167 2.979 2.065
116 H25 H H25 N N N 0 1.245 0.626 0.891
117 H411 H 1H41 N N N 0 5.19 2.113 0.221
118 H412 H 2H41 N N N 0 3.887 3.322 0.309
119 H27 H H27 N N N 0 2.815 -0.551 -0.233
120 H413 H 3H41 N N N 0 4.485 2.548 1.796
121 H28 H H28 N N N 0 5.651 0.669 0.102
122 H291 H 1H29 N N N 0 4.788 -2.245 -0.17
123 H292 H 2H29 N N N 0 5.29 -1.448 1.34
124 H30 H H30 N N N 0 7.514 -0.976 0.35
125 H31 H H31 N N N 0 6.432 -2.559 -2.024
126 H321 H 1H32 N N N 0 6.793 -0.44 -3.262
127 H322 H 2H32 N N N 0 7.296 0.355 -1.751
128 H331 H 1H33 N N N 0 4.569 -0.912 -2.272
129 H332 H 2H33 N N N 0 4.916 0.832 -2.26
130 H441 H 1H44 N N N 0 8.981 -3.898 1.19
131 H442 H 2H44 N N N 0 9.209 -2.74 -0.142
132 H443 H 3H44 N N N 0 8.823 -2.151 1.492
133 HO2 H HO2 N N N 0 8.501 -2.057 -2.874
134 H511 H 1H51 N N N 0 -0.127 0.833 -5.184
135 H512 H 2H51 N N N 0 -0.661 -0.849 -4.962
136 HN2 H HN2 N N N 0 -2.239 0.061 -8.984
137 H491 H 1H49 N N N 0 0.368 0.033 -10.069
138 H492 H 2H49 N N N 0 -0.165 -1.65 -9.847
139 H46 H H46 N N N 0 -0.758 1.496 -11.645
140 H45 H H45 N N N 0 -2.092 1.647 -13.709
141 H48 H H48 N N N 0 -2.031 -2.539 -11.118
142 H39 H H39 N N N 0 -3.398 -0.293 -14.476
143 H38 H H38 N N N 0 -3.369 -2.386 -13.179