Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JWP

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 C28 C C1 N N N 0 -4.416 2.226 -0.645
2 O31 O O1 N N N 0 -5.402 5.299 0.43
3 C30 C C2 N N N 0 -5.127 4.696 -0.841
4 C21 C C3 N N N 0 -3.057 -2.887 -0.504
5 C18 C C4 N N N 0 10.135 0.517 -0.409
6 C17 C C5 N N N 0 8.705 0.214 -0.24
7 C16 C C6 N N N 0 7.564 -0.028 -0.105
8 C15 C C7 N N N 0 6.226 -0.311 0.052
9 C14 C C8 N N N 0 5.085 -0.553 0.187
10 C12 C C9 N Y N 0 2.76 -0.356 -0.568
11 C11 C C10 N Y N 0 3.693 -0.848 0.351
12 C01 C C11 N N N 0 -3.227 -0.405 -2.05
13 C02 C C12 N N N 0 -3.586 -0.465 -0.564
14 C03 C C13 N N N 0 -5.072 -0.794 -0.411
15 C04 C C14 S N N 0 -2.75 -1.55 0.119
16 C06 C C15 N N N 0 -0.428 -1.722 0.837
17 C08 C C16 N Y N 0 1.006 -1.417 0.668
18 C09 C C17 N Y N 0 1.938 -1.909 1.588
19 C10 C C18 N Y N 0 3.265 -1.628 1.432
20 C13 C C19 N Y N 0 1.433 -0.638 -0.411
21 C19 C C20 N N N 0 10.343 2.033 -0.371
22 C29 C C21 N N N 0 -4.268 3.654 -0.114
23 C32 C C22 N N N 0 -5.222 4.01 1.032
24 N05 N N1 N N N 0 -1.326 -1.248 -0.049
25 N23 N N2 N N N 0 -4.088 -3.624 -0.045
26 O07 O O2 N N N 0 -0.799 -2.4 1.776
27 O20 O O3 N N N 0 11.732 2.327 -0.535
28 O22 O O4 N N N 0 -2.376 -3.3 -1.419
29 O24 O O5 N N N 0 -4.443 -4.829 -0.699
30 O26 O O6 N N N 0 -1.921 1.536 -0.145
31 O27 O O7 N N N 0 -3.6 1.07 1.58
32 S25 S S1 N N N 0 -3.239 1.14 0.207
33 H281 H H1 N N N 0 -5.432 1.875 -0.463
34 H282 H H2 N N N 0 -4.213 2.214 -1.715
35 H302 H H3 N N N 0 -6.01 4.272 -1.32
36 H301 H H4 N N N 0 -4.554 5.339 -1.51
37 H181 H H5 N N N 0 10.703 0.052 0.397
38 H182 H H6 N N N 0 10.479 0.127 -1.367
39 H121 H H7 N N N 0 3.088 0.25 -1.4
40 H013 H H8 N N N 0 -3.435 -1.37 -2.513
41 H012 H H9 N N N 0 -3.822 0.368 -2.536
42 H011 H H10 N N N 0 -2.168 -0.171 -2.159
43 H031 H H11 N N N 0 -5.328 -0.837 0.648
44 H032 H H12 N N N 0 -5.667 -0.022 -0.898
45 H033 H H13 N N N 0 -5.28 -1.759 -0.874
46 H041 H H14 N N N 0 -2.992 -1.58 1.182
47 H091 H H15 N N N 0 1.608 -2.511 2.421
48 H101 H H16 N N N 0 3.985 -2.009 2.142
49 H131 H H17 N N N 0 0.712 -0.258 -1.121
50 H192 H H18 N N N 0 9.776 2.497 -1.177
51 H191 H H19 N N N 0 10.0 2.423 0.587
52 H291 H H20 N N N 0 -3.233 3.953 0.047
53 H322 H H21 N N N 0 -4.733 4.052 2.005
54 H321 H H22 N N N 0 -6.13 3.407 1.043
55 H051 H H23 N N N 0 -1.03 -0.707 -0.797
56 H201 H H24 N N N 0 11.938 3.272 -0.521
57 H1 H H25 N N N 0 -4.586 -3.329 0.733
58 H2 H H26 N N N 0 -5.194 -5.287 -0.298