Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : YKT

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 109


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 2.092 3.53 3.299
2 C3 C C2 R N N 0 1.347 1.932 1.675
3 C4 C C3 N N N 0 1.674 2.847 0.493
4 C6 C C4 N N N 0 -0.209 2.861 -1.029
5 C7 C C5 N N N 0 -1.509 3.591 -1.376
6 C12 C C6 N N N 0 -0.198 7.112 -1.084
7 C15 C C7 N N N 0 0.768 4.949 -0.296
8 C16 C C8 N N N 0 2.555 1.102 2.002
9 C18 C C9 N N N 0 3.671 1.25 1.322
10 C19 C C10 N N N 0 4.898 0.477 1.731
11 C23 C C11 R N N 0 4.338 -1.052 -0.165
12 O28 O O1 N N N 0 4.253 -2.592 -2.345
13 C30 C C12 N N N 0 3.55 -4.141 -0.01
14 C32 C C13 N Y N 0 2.368 -3.528 -0.62
15 C33 C C14 N Y N 0 2.136 -3.576 -1.991
16 C34 C C15 N Y N 0 1.01 -2.989 -2.528
17 C35 C C16 N Y N 0 0.108 -2.324 -1.706
18 C37 C C17 N N N 0 -2.262 -2.35 -1.867
19 C38 C C18 S N N 0 -2.726 -1.673 -0.567
20 C39 C C19 N N N 0 -2.579 -0.166 -0.733
21 C40 C C20 N N N 0 -3.397 0.572 0.322
22 O2 O O2 N N N 0 1.011 2.735 2.808
23 N5 N N1 N N N 0 0.461 3.562 0.076
24 N8 N N2 N N N 0 -1.205 4.981 -1.747
25 C9 C C21 N N N 0 -2.43 5.69 -2.146
26 C10 C C22 N N N 0 -2.074 7.117 -2.571
27 O11 O O3 N N N 0 -1.397 7.773 -1.494
28 C13 C C23 S N N 0 -0.529 5.682 -0.647
29 F17 F F1 N N N 0 2.517 0.199 3.007
30 C20 C C24 S N N 0 5.461 -0.285 0.532
31 C22 C C25 N N N 0 6.088 0.705 -0.452
32 C25 C C26 N N N 0 3.544 -0.095 -1.056
33 S26 S S1 N N N 0 5.042 -2.381 -1.182
34 O27 O O4 N N N 0 6.454 -2.25 -1.268
35 N29 N N3 N N N 0 4.808 -3.753 -0.271
36 O31 O O5 N N N 0 3.382 -5.052 0.777
37 O36 O O6 N N N 0 -1.008 -1.774 -2.251
38 C41 C C27 N N N 0 -4.881 0.318 0.07
39 C42 C C28 N Y N 0 -5.144 -1.163 0.001
40 C43 C C29 N Y N 0 -6.437 -1.603 0.249
41 C44 C C30 N Y N 0 -6.741 -2.95 0.211
42 CL45 CL CL1 N N N 0 -8.36 -3.492 0.525
43 C46 C C31 N Y N 0 -5.742 -3.865 -0.081
44 C47 C C32 N Y N 0 -4.458 -3.426 -0.332
45 C48 C C33 N Y N 0 -4.152 -2.07 -0.291
46 C49 C C34 N N N 0 -1.838 -2.168 0.577
47 N50 N N4 N N N 0 -0.517 -1.54 0.513
48 C51 C C35 N N N 0 0.083 -1.409 1.846
49 C52 C C36 S N N 0 -0.097 0.0 2.398
50 C54 C C37 N N N 0 -1.558 0.224 2.844
51 C55 C C38 N N N 0 -1.862 1.654 2.356
52 O56 O O7 N N N 0 -1.023 1.868 1.216
53 C57 C C39 R N N 0 0.151 1.056 1.311
54 C59 C C40 N Y N 0 0.344 -2.239 -0.336
55 C60 C C41 N Y N 0 1.461 -2.847 0.212
56 H1 H H1 N N N 0 2.928 2.882 3.564
57 H2 H H2 N N N 0 2.407 4.231 2.526
58 H3 H H3 N N N 0 1.767 4.082 4.18
59 H4 H H4 N N N 0 2.436 3.568 0.792
60 H5 H H5 N N N 0 2.047 2.248 -0.338
61 H6 H H6 N N N 0 -0.436 1.839 -0.727
62 H7 H H7 N N N 0 0.444 2.847 -1.901
63 H8 H H8 N N N 0 -1.995 3.089 -2.213
64 H9 H H9 N N N 0 -2.172 3.583 -0.512
65 H10 H H10 N N N 0 0.505 7.083 -1.917
66 H11 H H11 N N N 0 0.249 7.653 -0.25
67 H12 H H12 N N N 0 1.254 5.451 0.541
68 H13 H H13 N N N 0 1.433 4.955 -1.159
69 H14 H H14 N N N 0 3.715 1.945 0.498
70 H15 H H15 N N N 0 5.653 1.168 2.106
71 H16 H H16 N N N 0 4.634 -0.232 2.516
72 H17 H H17 N N N 0 3.674 -1.484 0.585
73 H18 H H18 N N N 0 2.842 -4.076 -2.639
74 H19 H H19 N N N 0 0.829 -3.046 -3.591
75 H20 H H20 N N N 0 -2.138 -3.42 -1.7
76 H21 H H21 N N N 0 -2.998 -2.185 -2.654
77 H22 H H22 N N N 0 -1.528 0.106 -0.629
78 H23 H H23 N N N 0 -2.928 0.122 -1.724
79 H24 H H24 N N N 0 -3.128 0.208 1.314
80 H25 H H25 N N N 0 -3.194 1.641 0.259
81 H28 H H28 N N N 0 -2.897 5.168 -2.981
82 H29 H H29 N N N 0 -3.122 5.723 -1.304
83 H30 H H30 N N N 0 -1.423 7.085 -3.444
84 H31 H H31 N N N 0 -2.985 7.663 -2.815
85 H32 H H32 N N N 0 -1.182 5.707 0.226
86 H33 H H33 N N N 0 6.222 -0.987 0.873
87 H34 H H34 N N N 0 6.892 1.249 0.043
88 H35 H H35 N N N 0 6.49 0.162 -1.307
89 H36 H H36 N N N 0 5.329 1.408 -0.793
90 H37 H H37 N N N 0 4.229 0.438 -1.716
91 H38 H H38 N N N 0 2.831 -0.662 -1.654
92 H39 H H39 N N N 0 3.009 0.622 -0.433
93 H40 H H40 N N N 0 5.564 -4.261 0.064
94 H41 H H41 N N N 0 -5.465 0.752 0.882
95 H42 H H42 N N N 0 -5.172 0.783 -0.872
96 H43 H H43 N N N 0 -7.212 -0.885 0.474
97 H44 H H44 N N N 0 -5.968 -4.921 -0.112
98 H45 H H45 N N N 0 -3.683 -4.142 -0.561
99 H46 H H46 N N N 0 -2.308 -1.922 1.529
100 H47 H H47 N N N 0 -1.723 -3.249 0.502
101 H48 H H48 N N N 0 -0.391 -2.121 2.522
102 H49 H H49 N N N 0 1.147 -1.634 1.781
103 H50 H H50 N N N 0 0.565 0.17 3.248
104 H51 H H51 N N N 0 -2.221 -0.496 2.364
105 H52 H H52 N N N 0 -1.643 0.161 3.929
106 H53 H H53 N N N 0 -2.911 1.739 2.072
107 H54 H H54 N N N 0 -1.625 2.376 3.138
108 H55 H H55 N N N 0 0.331 0.563 0.355
109 H56 H H56 N N N 0 1.635 -2.8 1.277