Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 624

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 66


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CX C CX N N N 0 -2.072 1.723 -0.623
2 CY C CY S N N 0 -2.376 0.28 -0.312
3 CZ C CZ N Y N 0 -2.666 2.359 -1.8
4 OX O OX N N N 0 -1.334 2.357 0.103
5 N02 N N02 N N N 0 -1.413 -0.222 0.671
6 C06 C C06 N N N 0 -3.792 0.168 0.257
7 C07 C C07 N N N 0 -4.147 -1.306 0.456
8 C08 C C08 N N N 0 -5.563 -1.418 1.025
9 N09 N N09 N N N 0 -5.903 -2.83 1.215
10 C10 C C10 N N N 0 -7.133 -3.179 1.72
11 N11 N N11 N N N 0 -8.045 -2.202 2.046
12 NP2 N NP2 N N N 0 -7.436 -4.435 1.889
13 C18 C C18 N N N 0 -0.219 -0.696 0.265
14 O19 O O19 N N N 0 0.059 -0.707 -0.916
15 C20 C C20 N N N 0 0.771 -1.211 1.277
16 N21 N N21 N N N 0 1.981 -1.667 0.588
17 C22 C C22 N N N 0 2.046 -2.92 0.088
18 C23 C C23 N N N 0 3.234 -3.328 -0.566
19 C24 C C24 N N N 0 4.264 -2.435 -0.678
20 N25 N N25 N N N 0 4.143 -1.209 -0.171
21 C26 C C26 N N N 0 3.045 -0.824 0.443
22 O27 O O27 N N N 0 1.106 -3.687 0.207
23 N28 N N28 N N N 0 3.349 -4.62 -1.094
24 C30 C C30 N N N 0 4.582 -5.026 -1.774
25 C31 C C31 N N N 0 5.597 -5.516 -0.74
26 C32 C C32 N N N 0 4.272 -6.154 -2.76
27 C33 C C33 N Y N 0 2.962 0.547 0.987
28 C34 C C34 N Y N 0 2.626 0.75 2.327
29 C35 C C35 N Y N 0 2.55 2.032 2.829
30 C36 C C36 N Y N 0 2.806 3.118 2.008
31 C37 C C37 N Y N 0 3.142 2.923 0.677
32 C38 C C38 N Y N 0 3.226 1.644 0.164
33 CL1 CL CL1 N N N 0 2.709 4.728 2.648
34 CL2 CL CL2 N N N 0 3.463 4.289 -0.344
35 N45 N N45 N Y N 0 -3.484 1.845 -2.713
36 C46 C C46 N Y N 0 -3.912 2.587 -3.696
37 C47 C C47 N Y N 0 -3.507 3.889 -3.791
38 S48 S S48 N Y N 0 -2.479 4.032 -2.397
39 HY H HY N N N 0 -2.304 -0.311 -1.225
40 H02 H H02 N N N 0 -1.635 -0.212 1.616
41 H061 H 1H06 N N N 0 -3.84 0.686 1.215
42 H062 H 2H06 N N N 0 -4.499 0.622 -0.437
43 H071 H 1H07 N N N 0 -4.099 -1.824 -0.502
44 H072 H 2H07 N N N 0 -3.44 -1.76 1.15
45 H111 H 1H11 N N N 0 -8.913 -2.448 2.402
46 H081 H 1H08 N N N 0 -5.611 -0.9 1.983
47 H082 H 2H08 N N N 0 -6.27 -0.964 0.331
48 H09 H H09 N N N 0 -5.26 -3.519 0.985
49 H112 H 2H11 N N N 0 -7.82 -1.267 1.92
50 HP2 H HP2 N N N 0 -8.304 -4.681 2.245
51 H201 H 1H20 N N N 0 0.33 -2.044 1.825
52 H202 H 2H20 N N N 0 1.028 -0.413 1.973
53 H24 H H24 N N N 0 5.177 -2.724 -1.177
54 H28 H H28 N N N 0 2.613 -5.246 -1.01
55 H30 H H30 N N N 0 4.996 -4.175 -2.315
56 H311 H 1H31 N N N 0 5.817 -4.713 -0.038
57 H312 H 2H31 N N N 0 5.182 -6.368 -0.2
58 H313 H 3H31 N N N 0 6.514 -5.818 -1.246
59 H321 H 1H32 N N N 0 3.858 -7.005 -2.22
60 H322 H 2H32 N N N 0 3.549 -5.805 -3.497
61 H323 H 3H32 N N N 0 5.189 -6.456 -3.266
62 H34 H H34 N N N 0 2.425 -0.095 2.968
63 H35 H H35 N N N 0 2.289 2.19 3.865
64 H38 H H38 N N N 0 3.487 1.493 -0.873
65 H46 H H46 N N N 0 -4.58 2.173 -4.437
66 H47 H H47 N N N 0 -3.759 4.631 -4.534