Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 5K9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 -2.106 -0.479 -0.117
2 C13 C C2 N N N 0 -4.487 -0.572 1.564
3 C15 C C3 N N N 0 -2.436 -1.729 0.693
4 C17 C C4 N N N 0 -2.144 1.998 -0.114
5 C20 C C5 N Y N 0 1.336 1.014 -0.593
6 C21 C C6 N N N 0 -2.639 1.925 -1.56
7 C22 C C7 N N N 0 -2.705 3.251 0.561
8 C01 C C8 N N N 0 8.097 0.082 1.006
9 C02 C C9 N N N 0 6.596 -0.046 1.273
10 C03 C C10 N N N 0 5.833 0.047 -0.049
11 C04 C C11 N N N 0 4.332 -0.081 0.218
12 C05 C C12 N N N 0 3.569 0.012 -1.105
13 C06 C C13 N Y N 0 2.091 -0.115 -0.842
14 C07 C C14 N Y N 0 1.492 -1.36 -0.85
15 C08 C C15 N Y N 0 0.131 -1.473 -0.612
16 C09 C C16 N Y N 0 -0.631 -0.34 -0.364
17 C11 C C17 N N N 0 -2.595 0.754 0.649
18 C12 C C18 N N N 0 -4.115 0.687 0.771
19 C14 C C19 R N N 0 -3.958 -1.818 0.855
20 C16 C C20 N N N 0 -4.609 -1.931 -0.525
21 C19 C C21 N Y N 0 -0.03 0.909 -0.348
22 O18 O O1 N N N 0 -0.729 2.044 -0.088
23 O23 O O2 N N N 0 -0.459 -2.698 -0.62
24 H1 H H1 N N N 0 -2.623 -0.529 -1.075
25 H132 H H2 N N N 0 -4.053 -0.512 2.561
26 H131 H H3 N N N 0 -5.572 -0.636 1.646
27 H152 H H4 N N N 0 -2.072 -2.612 0.168
28 H151 H H5 N N N 0 -1.967 -1.664 1.674
29 H201 H H6 N N N 0 1.809 1.985 -0.587
30 H213 H H7 N N N 0 -3.728 1.871 -1.569
31 H211 H H8 N N N 0 -2.315 2.815 -2.101
32 H212 H H9 N N N 0 -2.227 1.038 -2.041
33 H221 H H10 N N N 0 -2.341 3.305 1.587
34 H223 H H11 N N N 0 -2.381 4.136 0.013
35 H222 H H12 N N N 0 -3.795 3.205 0.565
36 H013 H H13 N N N 0 8.302 1.044 0.536
37 H011 H H14 N N N 0 8.641 0.016 1.949
38 H012 H H15 N N N 0 8.419 -0.722 0.344
39 H021 H H16 N N N 0 6.392 -1.008 1.744
40 H022 H H17 N N N 0 6.275 0.758 1.936
41 H032 H H18 N N N 0 6.038 1.009 -0.52
42 H031 H H19 N N N 0 6.155 -0.757 -0.711
43 H042 H H20 N N N 0 4.128 -1.043 0.688
44 H041 H H21 N N N 0 4.011 0.723 0.88
45 H052 H H22 N N N 0 3.773 0.974 -1.576
46 H051 H H23 N N N 0 3.89 -0.792 -1.767
47 H071 H H24 N N N 0 2.084 -2.243 -1.042
48 H2 H H25 N N N 0 -2.154 0.76 1.646
49 H121 H H26 N N N 0 -4.56 0.638 -0.223
50 H122 H H27 N N N 0 -4.479 1.57 1.295
51 H141 H H28 N N N 0 -4.208 -2.701 1.443
52 H163 H H29 N N N 0 -4.368 -1.047 -1.114
53 H162 H H30 N N N 0 -4.233 -2.82 -1.032
54 H161 H H31 N N N 0 -5.691 -2.008 -0.411
55 H231 H H32 N N N 0 -0.471 -3.134 0.243