Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KE1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 R N N 0 1.496 0.789 0.26
2 C2 C C2 N N N 0 0.919 -0.544 -0.158
3 C3 C C3 N N N 0 1.803 -1.514 0.144
4 C5 C C4 S N N 0 2.87 0.447 0.863
5 C7 C C5 N N N 0 4.043 0.545 -1.32
6 C11 C C6 N N N 0 1.659 1.705 -0.955
7 C1A C C7 R N N 0 -1.738 -0.292 0.444
8 C2A C C8 N N N 0 -1.661 1.231 0.661
9 C31 C C9 N N N 0 1.579 -2.886 -0.116
10 C4A C C10 N N N 0 -3.215 -0.573 0.082
11 C5A C C11 R N N 0 -3.955 0.657 0.664
12 C6 C C12 S N N 0 3.986 1.129 0.068
13 C61 C C13 R N N 0 5.325 0.902 0.772
14 C62 C C14 N N N 0 6.441 1.583 -0.023
15 C6A C C15 N N N 0 -5.259 0.883 -0.057
16 C8A C C16 N N N 0 -7.608 0.363 -0.44
17 C9A C C17 N N N 0 -6.248 -0.88 1.304
18 N3A N N1 N N N 0 -3.012 1.775 0.404
19 N4 N N2 N N N 0 2.971 -1.016 0.743
20 N7A N N3 N N N 0 -6.34 0.144 0.26
21 O31 O O1 N N N 0 2.467 -3.808 0.313
22 O32 O O2 N N N 0 0.586 -3.236 -0.727
23 O62 O O3 N N N 0 5.271 1.456 2.088
24 O6A O O4 N N N 0 -5.335 1.73 -0.921
25 O7 O O5 N N N 0 4.012 1.273 -2.283
26 S21 S S1 N N N 0 -0.652 -0.789 -0.916
27 H1 H H1 N N N 0 0.859 1.261 1.008
28 H4 H H4 N N N 0 2.911 0.749 1.909
29 H5 H H5 N N N 0 4.11 -0.525 -1.454
30 H7 H H7 N N N 0 0.68 2.067 -1.271
31 H8 H H8 N N N 0 2.291 2.553 -0.689
32 H9 H H9 N N N 0 2.121 1.149 -1.77
33 H10 H H10 N N N 0 -1.464 -0.818 1.358
34 H11 H H11 N N N 0 -1.363 1.445 1.687
35 H12 H H12 N N N 0 -0.946 1.669 -0.035
36 H13 H H13 N N N 0 -3.344 -0.626 -0.999
37 H14 H H14 N N N 0 -3.56 -1.492 0.558
38 H15 H H15 N N N 0 -4.121 0.535 1.734
39 H16 H H16 N N N 0 3.786 2.198 0.004
40 H17 H H17 N N N 0 5.526 -0.168 0.836
41 H18 H H18 N N N 0 6.241 2.653 -0.087
42 H19 H H19 N N N 0 7.395 1.422 0.479
43 H20 H H20 N N N 0 6.482 1.161 -1.027
44 H21 H H21 N N N 0 -7.653 -0.279 -1.32
45 H22 H H22 N N N 0 -8.438 0.125 0.226
46 H23 H H23 N N N 0 -7.678 1.406 -0.748
47 H24 H H24 N N N 0 -6.495 -0.437 2.269
48 H25 H H25 N N N 0 -6.948 -1.686 1.085
49 H26 H H26 N N N 0 -5.234 -1.277 1.335
50 H27 H H27 N N N 0 -3.095 2.104 -0.546
51 H29 H H29 N N N 0 3.725 -1.553 1.034
52 H31 H H31 N N N 0 2.229 -4.718 0.088
53 H32 H H32 N N N 0 5.096 2.406 2.108