Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PFW

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 67


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -2.312 -3.881 0.528
2 C2 C C2 N Y N 0 -1.227 -3.007 0.374
3 C3 C C3 N Y N 0 -1.418 -1.729 -0.069
4 C4 C C4 N Y N 0 -3.594 -3.47 0.235
5 C5 C C5 N Y N 0 -3.812 -2.164 -0.221
6 C6 C C6 N Y N 0 -2.71 -1.286 -0.374
7 C7 C C7 N Y N 0 -2.963 0.028 -0.836
8 N8 N N8 N Y N 0 -4.216 0.369 -1.102
9 C9 C C9 N Y N 0 -5.215 -0.486 -0.944
10 N10 N N10 N Y N 0 -5.041 -1.714 -0.52
11 N11 N N11 N N N 0 -1.932 0.929 -1.005
12 C12 C C12 N N N 0 -1.818 1.341 -2.41
13 C13 C C13 N N N 0 -0.58 2.223 -2.586
14 C14 C C14 N N N 0 -0.704 3.453 -1.682
15 C15 C C15 S N N 0 -0.87 2.996 -0.23
16 C16 C C16 N N N 0 -2.099 2.091 -0.123
17 C17 C C17 N Y N 0 -1.051 4.199 0.659
18 C18 C C18 N Y N 0 -2.121 5.051 0.458
19 C19 C C19 N Y N 0 -2.287 6.155 1.273
20 C20 C C20 N Y N 0 -1.384 6.407 2.289
21 C21 C C21 N Y N 0 -0.315 5.554 2.49
22 C22 C C22 N Y N 0 -0.151 4.447 1.678
23 O23 O O23 N N N 0 -2.097 -5.149 0.965
24 O24 O O24 N N N 0 0.029 -3.435 0.67
25 C25 C C25 N N N 0 -3.242 -5.993 1.096
26 C26 C C26 N N N 0 1.093 -2.498 0.493
27 C27 C C27 N N N 0 2.421 -3.156 0.873
28 C28 C C28 N Y N 0 3.543 -2.168 0.686
29 N29 N N29 N Y N 0 3.695 -1.589 -0.48
30 C30 C C30 N Y N 0 5.41 -0.997 1.608
31 C31 C C31 N Y N 0 4.387 -1.89 1.759
32 C32 C C32 N Y N 0 5.574 -0.381 0.353
33 C33 C C33 N Y N 0 4.676 -0.705 -0.694
34 C34 C C34 N Y N 0 4.838 -0.091 -1.948
35 C35 C C35 N Y N 0 5.849 0.8 -2.138
36 C36 C C36 N Y N 0 6.731 1.118 -1.107
37 C37 C C37 N Y N 0 6.605 0.544 0.121
38 H3 H H3 N N N 0 -0.575 -1.063 -0.184
39 H4 H H4 N N N 0 -4.424 -4.149 0.356
40 H9 H H9 N N N 0 -6.217 -0.156 -1.174
41 H12 H H12 N N N 0 -1.727 0.457 -3.041
42 H12A H H12A N N N 0 -2.708 1.902 -2.697
43 H13 H H13 N N N 0 0.311 1.658 -2.312
44 H13A H H13A N N N 0 -0.504 2.541 -3.625
45 H14 H H14 N N N 0 0.195 4.063 -1.771
46 H14A H H14A N N N 0 -1.572 4.04 -1.982
47 H15 H H15 N N N 0 0.017 2.443 0.081
48 H16 H H16 N N N 0 -2.987 2.648 -0.421
49 H16A H H16A N N N 0 -2.212 1.752 0.907
50 H18 H H18 N N N 0 -2.826 4.855 -0.335
51 H19 H H19 N N N 0 -3.122 6.822 1.117
52 H20 H H20 N N N 0 -1.513 7.27 2.926
53 H21 H H21 N N N 0 0.391 5.75 3.284
54 H22 H H22 N N N 0 0.682 3.779 1.838
55 H25 H H25 N N N 0 -3.939 -5.552 1.808
56 H25A H H25A N N N 0 -3.73 -6.097 0.126
57 H25B H H25B N N N 0 -2.931 -6.975 1.452
58 H26 H H26 N N N 0 1.129 -2.182 -0.55
59 H26A H H26A N N N 0 0.922 -1.63 1.13
60 H27 H H27 N N N 0 2.385 -3.472 1.916
61 H27A H H27A N N N 0 2.592 -4.024 0.236
62 H30 H H30 N N N 0 6.074 -0.769 2.429
63 H31 H H31 N N N 0 4.234 -2.38 2.709
64 H34 H H34 N N N 0 4.163 -0.326 -2.758
65 H35 H H35 N N N 0 5.969 1.269 -3.103
66 H36 H H36 N N N 0 7.524 1.828 -1.284
67 H37 H H37 N N N 0 7.295 0.798 0.913