Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4QQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 S S S N N N 0 -0.187 2.093 0.05
2 O1S O O1S N N N 0 0.473 1.777 -1.168
3 O2S O O2S N N N 0 0.02 3.311 0.753
4 C1 C C1 N Y N 0 -1.915 1.996 -0.28
5 C2 C C2 N Y N 0 -2.81 2.693 0.511
6 C3 C C3 N Y N 0 -4.165 2.617 0.252
7 C4 C C4 N Y N 0 -4.627 1.845 -0.798
8 C5 C C5 N Y N 0 -3.732 1.149 -1.589
9 C6 C C6 N Y N 0 -2.376 1.229 -1.333
10 C C C N N N 0 -6.105 1.762 -1.079
11 N1 N N1 N N N 0 -1.74 -2.247 0.706
12 C21 C C21 N N N 0 -3.022 -2.793 1.173
13 C61 C C61 N N N 0 -0.935 -3.039 -0.233
14 C31 C C31 N N N 0 -3.87 -3.169 -0.046
15 C41 C C41 N N N 0 -3.073 -4.118 -0.944
16 C51 C C51 N N N 0 -1.806 -3.413 -1.436
17 N N N N N N 0 0.179 0.874 1.11
18 CA C CA S N N 0 0.035 -0.524 0.695
19 C7 C C7 N N N 0 -1.313 -1.04 1.128
20 O O O N N N 0 -2.015 -0.369 1.855
21 CB C CB N N N 0 1.135 -1.365 1.346
22 CG C CG N Y N 0 2.478 -0.934 0.814
23 CD1 C CD1 N Y N 0 3.184 0.068 1.455
24 CD2 C CD2 N Y N 0 3.002 -1.546 -0.31
25 CE1 C CE1 N Y N 0 4.414 0.467 0.973
26 CE2 C CE2 N Y N 0 4.231 -1.157 -0.802
27 CZ C CZ N Y N 0 4.945 -0.143 -0.163
28 CF C CF N N N 0 6.264 0.28 -0.686
29 NG1 N NG1 N N N 0 6.931 1.224 -0.084
30 NG2 N NG2 N N N 0 6.786 -0.324 -1.808
31 H3 H H3 N N N 0 -2.449 3.296 1.332
32 H4 H H4 N N N 0 -4.864 3.161 0.871
33 H5 H H5 N N N 0 -4.092 0.546 -2.409
34 H6 H H6 N N N 0 -1.676 0.688 -1.953
35 H7 H H7 N N N 0 -6.387 2.552 -1.775
36 H8 H H8 N N N 0 -6.337 0.791 -1.518
37 H9 H H9 N N N 0 -6.659 1.882 -0.148
38 H10 H H10 N N N 0 -2.842 -3.679 1.781
39 H11 H H11 N N N 0 -3.545 -2.042 1.764
40 H12 H H12 N N N 0 -4.783 -3.664 0.285
41 H13 H H13 N N N 0 -4.125 -2.269 -0.604
42 H14 H H14 N N N 0 -2.796 -5.008 -0.378
43 H15 H H15 N N N 0 -3.683 -4.407 -1.8
44 H16 H H16 N N N 0 -1.251 -4.081 -2.095
45 H17 H H17 N N N 0 -2.081 -2.51 -1.981
46 H18 H H18 N N N 0 -0.081 -2.451 -0.57
47 H19 H H19 N N N 0 -0.585 -3.946 0.26
48 H20 H H20 N N N 0 0.119 -0.592 -0.389
49 H21 H H21 N N N 0 1.11 -1.222 2.427
50 H22 H H22 N N N 0 0.973 -2.417 1.115
51 H23 H H23 N N N 0 2.771 0.54 2.335
52 H24 H H24 N N N 0 2.448 -2.331 -0.804
53 H25 H H25 N N N 0 4.964 1.25 1.474
54 H26 H H26 N N N 0 4.639 -1.636 -1.679
55 HG12 H HG12 N N N 0 7.795 1.501 -0.427
56 HG22 H HG22 N N N 0 6.29 -1.027 -2.256
57 HG21 H HG21 N N N 0 7.651 -0.047 -2.151
58 H H H N N N 0 0.488 1.085 2.004