Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1XU

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C01 N Y N 0 5.635 3.039 -3.374
2 C02 C C02 N Y N 0 4.443 2.316 -3.43
3 C03 C C03 N Y N 0 4.433 1.442 -2.379
4 N04 N N04 N Y N 0 5.597 1.623 -1.689
5 N05 N N05 N Y N 0 6.325 2.629 -2.339
6 C06 C C06 N Y N 0 5.993 0.929 -0.539
7 C07 C C07 N Y N 0 3.359 0.479 -2.051
8 C08 C C08 N Y N 0 5.859 -0.452 -0.48
9 C09 C C09 N Y N 0 6.25 -1.135 0.655
10 C10 C C10 N Y N 0 6.774 -0.445 1.734
11 C11 C C11 N Y N 0 6.908 0.933 1.678
12 C12 C C12 N Y N 0 6.524 1.62 0.542
13 CL1 CL CL13 N N N 0 7.565 1.796 3.033
14 CL2 CL CL14 N N N 0 7.264 -1.306 3.159
15 C15 C C15 N Y N 0 3.186 0.045 -0.736
16 C16 C C16 N Y N 0 2.183 -0.853 -0.436
17 C17 C C17 N Y N 0 1.35 -1.324 -1.435
18 C18 C C18 N Y N 0 1.517 -0.898 -2.741
19 C19 C C19 N Y N 0 2.513 0.004 -3.053
20 C20 C C20 N N N 0 0.256 -2.305 -1.1
21 N21 N N21 N N N 0 -0.968 -1.575 -0.76
22 C22 C C22 N N N 0 -2.085 -2.25 -0.424
23 C23 C C23 N Y N 0 -3.345 -1.522 -0.192
24 C24 C C24 N Y N 0 -3.354 -0.124 -0.184
25 C25 C C25 N Y N 0 -4.52 0.554 0.032
26 C26 C C26 N Y N 0 -5.71 -0.147 0.246
27 C27 C C27 N Y N 0 -5.709 -1.545 0.239
28 C28 C C28 N Y N 0 -4.535 -2.23 0.016
29 S29 S S29 N N N 0 -2.039 -3.955 -0.268
30 C30 C C30 N Y N 0 -6.968 0.589 0.479
31 C31 C C31 N Y N 0 -8.192 0.024 0.7
32 C32 C C32 N Y N 0 -9.103 1.071 0.871
33 C33 C C33 N Y N 0 -8.389 2.243 0.747
34 O34 O O34 N Y N 0 -7.098 1.925 0.516
35 C35 C C35 N N N 0 -8.934 3.598 0.857
36 O36 O O36 N N N 0 -8.121 4.666 0.724
37 O37 O O37 N N N 0 -10.121 3.76 1.068
38 CL3 CL CL38 N N N 0 -4.528 -3.966 0.006
39 H1 H H1 N N N 0 5.94 3.806 -4.071
40 H2 H H2 N N N 0 3.666 2.428 -4.172
41 H3 H H3 N N N 0 5.45 -0.992 -1.321
42 H4 H H4 N N N 0 6.146 -2.209 0.701
43 H5 H H5 N N N 0 6.633 2.693 0.496
44 H6 H H6 N N N 0 3.836 0.412 0.045
45 H7 H H7 N N N 0 2.047 -1.19 0.582
46 H8 H H8 N N N 0 0.864 -1.27 -3.516
47 H9 H H9 N N N 0 2.639 0.339 -4.072
48 H10 H H10 N N N 0 0.069 -2.948 -1.96
49 H11 H H11 N N N 0 0.563 -2.915 -0.25
50 H12 H H12 N N N 0 -0.975 -0.605 -0.777
51 H13 H H13 N N N 0 -2.436 0.421 -0.348
52 H14 H H14 N N N 0 -4.522 1.634 0.038
53 H15 H H15 N N N 0 -6.629 -2.088 0.4
54 H16 H H16 N N N 0 -8.415 -1.033 0.734
55 H17 H H17 N N N 0 -10.161 0.978 1.064
56 H18 H H18 N N N 0 -8.571 5.517 0.812