Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : HKO

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 80


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C2 C C1 N Y N 0 3.845 3.38 1.303
2 C3 C C2 N Y N 0 5.044 3.282 1.993
3 C4 C C3 N Y N 0 6.161 2.798 1.337
4 C5 C C4 N Y N 0 4.971 2.507 -0.613
5 C1 C C5 N Y N 0 3.813 2.981 -0.024
6 O1 O O1 N N N 0 2.693 3.144 -2.317
7 C11 C C6 R N N 0 1.612 -3.99 0.223
8 C12 C C7 R N N 0 1.035 1.239 0.57
9 C13 C C8 S N N 0 -2.595 1.022 0.155
10 C21 C C9 R N N 0 2.115 -5.08 -0.727
11 C22 C C10 N N N 0 2.072 0.349 1.257
12 C23 C C11 S N N 0 -3.529 1.752 -0.789
13 C31 C C12 N N N 0 0.974 -5.503 -1.657
14 C32 C C13 R N N 0 2.311 -0.903 0.41
15 C33 C C14 S N N 0 -4.99 1.484 -0.475
16 C41 C C15 N N N 0 -0.213 -5.973 -0.81
17 C42 C C16 S N N 0 0.998 -1.673 0.257
18 C43 C C17 R N N 0 -5.271 1.566 1.015
19 C51 C C18 S N N 0 -0.626 -4.848 0.143
20 C52 C C19 R N N 0 -0.039 -0.783 -0.43
21 C53 C C20 S N N 0 -4.107 1.462 1.993
22 C61 C C21 N N N 0 -1.772 -5.33 1.034
23 C62 C C22 R N N 0 -0.278 0.469 0.417
24 C83 C C23 N N N 0 -4.838 2.799 1.8
25 C93 C C24 N N N 0 -6.053 2.078 -2.568
26 N1 N N1 N Y N 0 6.095 2.433 0.072
27 N12 N N2 N N N 0 1.528 1.632 -0.753
28 N21 N N3 N N N 0 3.232 -4.558 -1.526
29 N32 N N4 N N N 0 3.306 -1.758 1.07
30 N33 N N5 N N N 0 -5.819 2.476 -1.173
31 N61 N N6 N N N 0 -2.191 -4.24 1.926
32 O11 O O2 N N N 0 1.221 -2.842 -0.534
33 O2 O O3 N N N 0 1.513 4.06 -0.312
34 O52 O O7 N N N 0 -1.265 -1.503 -0.573
35 O23 O O4 N N N 0 -3.26 1.329 -2.127
36 O43 O O5 N N N 0 -6.489 0.945 1.431
37 O51 O O6 N N N 0 0.489 -4.482 0.958
38 O53 O O8 N N N 0 -2.774 1.399 1.505
39 O62 O O9 N N N 0 -1.247 1.301 -0.226
40 S1 S S1 N N N 0 2.316 3.075 -0.948
41 H1 H H1 N N N 0 2.957 3.754 1.789
42 H2 H H2 N N N 0 5.105 3.58 3.029
43 H3 H H3 N N N 0 7.098 2.719 1.867
44 H4 H H4 N N N 0 4.954 2.194 -1.647
45 H5 H H5 N N N 0 2.408 -3.715 0.915
46 H6 H H6 N N N 0 0.864 2.131 1.173
47 H7 H H7 N N N 0 -2.771 -0.05 0.064
48 H8 H H8 N N N 0 2.452 -5.941 -0.148
49 H9 H H9 N N N 0 3.007 0.898 1.366
50 H10 H H10 N N N 0 1.705 0.057 2.241
51 H11 H H11 N N N 0 -3.342 2.823 -0.713
52 H12 H H12 N N N 0 0.671 -4.655 -2.271
53 H13 H H13 N N N 0 1.309 -6.318 -2.298
54 H14 H H14 N N N 0 2.678 -0.611 -0.574
55 H15 H H15 N N N 0 -5.253 0.489 -0.832
56 H16 H H16 N N N 0 -1.049 -6.223 -1.462
57 H17 H H17 N N N 0 0.076 -6.852 -0.234
58 H18 H H18 N N N 0 0.631 -1.965 1.241
59 H19 H H19 N N N 0 -0.954 -3.984 -0.435
60 H20 H H20 N N N 0 0.328 -0.491 -1.414
61 H21 H H21 N N N 0 -4.288 0.938 2.932
62 H26 H H26 N N N 0 -4.316 3.585 1.255
63 H23 H H23 N N N 0 -2.614 -5.634 0.412
64 H24 H H24 N N N 0 -1.437 -6.178 1.631
65 H25 H H25 N N N 0 -0.645 0.177 1.401
66 H27 H H27 N N N 0 -5.49 3.137 2.606
67 H29 H H29 N N N 0 -6.669 2.83 -3.062
68 H30 H H30 N N N 0 -5.098 1.994 -3.087
69 H31 H H31 N N N 0 -6.565 1.116 -2.591
70 H32 H H32 N N N 0 1.393 1.046 -1.514
71 H33 H H33 N N N 0 3.581 -5.26 -2.161
72 H34 H H34 N N N 0 2.961 -3.723 -2.024
73 H36 H H36 N N N 0 4.183 -1.271 1.183
74 H37 H H37 N N N 0 2.963 -2.094 1.957
75 H39 H H39 N N N 0 -6.691 2.624 -0.688
76 H41 H H41 N N N 0 -2.536 -3.453 1.397
77 H42 H H42 N N N 0 -2.881 -4.56 2.589
78 H44 H H44 N N N 0 -2.355 1.505 -2.42
79 H45 H H45 N N N 0 -7.206 1.015 0.787
80 H46 H H46 N N N 0 -1.212 -2.253 -1.18