Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : TI2

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 63


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 SG S SG N N N 0 1.055 -0.722 4.067
2 CA1 C CA1 S N N 0 -0.395 -0.509 2.999
3 CB1 C CB1 N N N 0 -1.41 0.401 3.692
4 CG1 C CG1 N Y N 0 -1.835 -0.221 4.997
5 CD1 C CD1 N Y N 0 -1.137 0.06 6.156
6 CD2 C CD2 N Y N 0 -2.925 -1.069 5.035
7 CE1 C CE1 N Y N 0 -1.527 -0.51 7.353
8 CE2 C CE2 N Y N 0 -3.312 -1.644 6.231
9 CZ1 C CZ1 N Y N 0 -2.614 -1.362 7.391
10 C1 C C1 N N N 0 0.029 0.112 1.694
11 O1 O O1 N N N 0 0.042 1.319 1.573
12 N2 N N2 N N N 0 0.395 -0.671 0.66
13 CA2 C CA2 S N N 0 0.808 -0.066 -0.607
14 CB2 C CB2 N N N 0 2.319 0.175 -0.589
15 CG2 C CG2 N Y N 0 2.665 1.103 0.545
16 CD3 C CD3 N Y N 0 2.966 0.588 1.792
17 CD4 C CD4 N Y N 0 2.687 2.47 0.339
18 CE3 C CE3 N Y N 0 3.284 1.439 2.834
19 CE4 C CE4 N Y N 0 3.001 3.321 1.381
20 CZ2 C CZ2 N Y N 0 3.301 2.806 2.628
21 C2 C C2 N N N 0 0.462 -0.995 -1.743
22 O2 O O2 N N N 0 -0.076 -2.057 -1.515
23 N3 N N3 N N N 0 0.751 -0.644 -3.012
24 CA3 C CA3 S N N 0 0.414 -1.547 -4.116
25 CB3 C CB3 N N N 0 0.126 -0.727 -5.375
26 CG3 C CG3 N Y N 0 -1.031 0.202 -5.115
27 CD5 C CD5 N Y N 0 -0.798 1.472 -4.621
28 CE5 C CE5 N Y N 0 -1.858 2.326 -4.381
29 CD6 C CD6 N Y N 0 -2.323 -0.214 -5.377
30 CE6 C CE6 N Y N 0 -3.386 0.633 -5.134
31 CZ3 C CZ3 N Y N 0 -3.156 1.908 -4.638
32 OH O OH N N N 0 -4.199 2.746 -4.403
33 C3 C C3 N N N 0 1.571 -2.476 -4.376
34 O3 O O3 N N N 0 1.369 -3.586 -4.808
35 OXT O OXT N N N 0 2.827 -2.071 -4.127
36 HS H HS N N N 0 1.454 0.557 4.177
37 HA1 H HA1 N N N 0 -0.85 -1.481 2.807
38 HB11 H 1HB1 N N N 0 -0.954 1.372 3.884
39 HB12 H 2HB1 N N N 0 -2.281 0.529 3.049
40 HD1 H HD1 N N N 0 -0.287 0.727 6.127
41 HD2 H HD2 N N N 0 -3.47 -1.289 4.129
42 HE1 H HE1 N N N 0 -0.981 -0.29 8.259
43 HE2 H HE2 N N N 0 -4.162 -2.31 6.261
44 HZ1 H HZ1 N N N 0 -2.918 -1.809 8.326
45 HN2 H HN2 N N N 0 0.385 -1.637 0.757
46 HA2 H HA2 N N N 0 0.29 0.882 -0.743
47 HB21 H 1HB2 N N N 0 2.837 -0.774 -0.454
48 HB22 H 2HB2 N N N 0 2.626 0.625 -1.533
49 HD3 H HD3 N N N 0 2.952 -0.479 1.953
50 HD4 H HD4 N N N 0 2.453 2.872 -0.635
51 HE3 H HE3 N N N 0 3.518 1.036 3.808
52 HE4 H HE4 N N N 0 3.014 4.389 1.221
53 HZ2 H HZ2 N N N 0 3.548 3.471 3.442
54 HN3 H HN3 N N N 0 1.182 0.205 -3.194
55 HA3 H HA3 N N N 0 -0.467 -2.13 -3.852
56 HB31 H 1HB3 N N N 0 1.008 -0.143 -5.639
57 HD6 H HD6 N N N 0 -2.502 -1.206 -5.764
58 HB32 H 2HB3 N N N 0 -0.124 -1.398 -6.196
59 HD5 H HD5 N N N 0 0.211 1.797 -4.421
60 HE5 H HE5 N N N 0 -1.676 3.318 -3.994
61 HE6 H HE6 N N N 0 -4.396 0.306 -5.334
62 HO H HO N N N 0 -4.348 3.243 -5.22
63 HXT H HXT N N N 0 3.569 -2.667 -4.294