Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IB2

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 78


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 PA P PA S N N 0 -0.622 1.325 2.707
2 O1A O O1A N N N 0 -1.719 2.235 2.309
3 O2A O O2A N N N 0 0.688 2.189 3.062
4 C3A C C3A N N N 0 -0.247 0.187 1.334
5 PB P PB S N N 0 0.261 1.148 -0.129
6 O1B O O1B N N N 0 1.466 1.942 0.196
7 O2B O O2B N N N 0 -0.932 2.137 -0.563
8 O3B O O3B N N N 0 0.592 0.143 -1.342
9 PG P PG R N N 0 1.032 1.054 -2.594
10 O1G O O1G N N N 0 2.226 1.85 -2.23
11 S2G S S2G N N N 0 -0.556 2.359 -3.111
12 O5D O O5* N N N 0 -1.071 0.477 4.0
13 C5D C C5* N N N 0 -1.35 1.42 5.037
14 C4D C C4* R N N 0 -1.785 0.675 6.3
15 O4D O O4* N N N 0 -0.726 -0.19 6.763
16 C3D C C3* S N N 0 -2.018 1.668 7.46
17 O3D O O3* N N N 0 -3.409 1.968 7.591
18 C2D C C2* R N N 0 -1.506 0.915 8.71
19 O2D O O2* N N N 0 -2.564 0.729 9.651
20 C1D C C1* R N N 0 -1.021 -0.442 8.154
21 O5' O O5' N N N 0 1.38 0.109 -3.85
22 C5' C C5' N N N 0 1.761 0.971 -4.924
23 C4' C C4' R N N 0 2.106 0.132 -6.155
24 O4' O O4' N N N 0 0.953 -0.614 -6.577
25 C3' C C3' S N N 0 2.511 1.054 -7.322
26 O3' O O3' N N N 0 3.846 0.774 -7.748
27 C2' C C2' R N N 0 1.499 0.707 -8.444
28 O2' O O2' N N N 0 2.147 0.657 -9.717
29 C1' C C1' R N N 0 1.01 -0.7 -8.017
30 N9 N N9 N Y N 0 -0.317 -0.978 -8.571
31 C8 C C8 N Y N 0 -1.512 -0.623 -8.019
32 N7 N N7 N Y N 0 -2.489 -1.029 -8.775
33 C5 C C5 N Y N 0 -1.986 -1.669 -9.858
34 C6 C C6 N Y N 0 -2.546 -2.299 -10.982
35 N6 N N6 N N N 0 -3.918 -2.354 -11.153
36 N1 N N1 N Y N 0 -1.726 -2.841 -11.878
37 C2 C C2 N Y N 0 -0.416 -2.792 -11.723
38 N3 N N3 N Y N 0 0.152 -2.213 -10.687
39 C4 C C4 N Y N 0 -0.586 -1.639 -9.743
40 N9A N AN9 N Y N 0 0.184 -0.881 8.86
41 C8A C AC8 N Y N 0 1.47 -0.574 8.527
42 N7A N AN7 N Y N 0 2.292 -1.13 9.369
43 C5A C AC5 N Y N 0 1.588 -1.823 10.296
44 C6A C AC6 N Y N 0 1.927 -2.608 11.411
45 N6A N AN6 N N N 0 3.251 -2.794 11.77
46 N1A N AN1 N Y N 0 0.947 -3.164 12.115
47 C2A C AC2 N Y N 0 -0.318 -2.993 11.78
48 N3A N AN3 N Y N 0 -0.682 -2.271 10.741
49 C4A C AC4 N Y N 0 0.227 -1.676 9.977
50 HOA2 H 2HOA N N N 0 1.377 1.56 3.316
51 H3A1 H 1H3A N N N 0 0.56 -0.482 1.627
52 H3A2 H 2H3A N N N 0 -1.135 -0.397 1.094
53 HOB2 H 2HOB N N N 0 -1.696 1.581 -0.766
54 HSG2 H 2HSG N N N 0 -1.513 1.459 -3.399
55 H5'1 H 1H5* N N N 0 -2.15 2.087 4.715
56 H5'2 H 2H5* N N N 0 -0.454 2.002 5.249
57 H4D H H4* N N N 0 -2.69 0.098 6.107
58 H3D H H3* N N N 0 -1.445 2.582 7.301
59 HO3' H *HO3 N N N 0 -3.493 2.59 8.326
60 H2D H H2* N N N 0 -0.678 1.455 9.169
61 HO2' H *HO2 N N N 0 -2.863 1.61 9.914
62 H1D H H1* N N N 0 -1.807 -1.192 8.246
63 H51X H 1H5' N N N 0 0.935 1.642 -5.161
64 H52X H 2H5' N N N 0 2.631 1.557 -4.628
65 H4' H H4' N N N 0 2.924 -0.55 -5.921
66 H3' H H3' N N N 0 2.416 2.1 -7.031
67 HO3X H 'HO3 N N N 0 4.019 1.338 -8.515
68 H2' H H2' N N N 0 0.673 1.418 -8.458
69 HO2X H 'HO2 N N N 0 2.426 1.559 -9.924
70 H1' H H1' N N N 0 1.722 -1.464 -8.328
71 H8 H H8 N N N 0 -1.629 -0.084 -7.09
72 HN61 H 1HN6 N N N 0 -4.292 -2.793 -11.933
73 HN62 H 2HN6 N N N 0 -4.505 -1.955 -10.492
74 H2 H H2 N N N 0 0.212 -3.245 -12.475
75 H8A H AH8 N N N 0 1.763 0.039 7.689
76 HNA1 H 1HNA N N N 0 3.472 -3.335 12.544
77 HNA2 H 2HNA N N N 0 3.957 -2.386 11.245
78 H2A H AH2 N N N 0 -1.083 -3.463 12.38