Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : NCS

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 84


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 0.921 -0.291 0.463
2 C2 C C2 N Y N 0 0.74 -1.562 0.975
3 C3 C C3 N Y N 0 -0.489 -2.208 0.834
4 C4 C C4 N Y N 0 -1.516 -1.568 0.136
5 C5 C C5 N Y N 0 -1.319 -0.318 -0.4
6 C6 C C6 N Y N 0 -0.095 0.32 -0.251
7 C7 C C7 N N N 0 -0.974 -3.521 1.297
8 C8 C C8 N N N 0 -2.226 -3.724 0.927
9 C9 C C9 R N N 0 -2.694 -2.511 0.157
10 O9 O O9 N N N 0 -3.804 -1.902 0.82
11 C10 C C10 R N N 0 0.351 1.685 -0.738
12 C11 C C11 R N N 0 1.655 1.992 0.048
13 C12 C C12 R N N 0 2.143 0.602 0.48
14 C13 C C13 R N N 0 -3.081 -2.907 -1.27
15 O14 O O14 N N N 0 -3.576 -1.75 -2.005
16 C15 C C15 N N N 0 -4.846 -1.977 -2.371
17 O15 O O15 N N N 0 -5.507 -1.174 -2.998
18 O16 O O16 N N N 0 -5.316 -3.167 -1.984
19 C17 C C17 N N N 0 -4.275 -3.881 -1.256
20 O18 O O18 N N N 0 1.254 2.78 1.204
21 C19 C C19 N N N 0 0.186 3.528 0.86
22 O19 O O19 N N N 0 -0.075 4.629 1.283
23 C20 C C20 S N N 0 -0.624 2.75 -0.145
24 C21 C C21 N N N 0 -0.997 3.678 -1.271
25 O21 O O21 N N N 0 -0.142 4.279 -1.89
26 C22 C C22 N N N 0 -2.362 3.834 -1.59
27 C23 C C23 N N N 0 -3.329 3.175 -0.92
28 C24 C C24 N Y N 0 -3.046 2.254 0.182
29 C25 C C25 N Y N 0 -1.721 2.027 0.586
30 C26 C C26 N Y N 0 -1.448 1.165 1.618
31 C27 C C27 N Y N 0 -2.49 0.511 2.27
32 O27 O O27 N N N 0 -2.221 -0.342 3.291
33 C28 C C28 N Y N 0 -3.806 0.728 1.876
34 C29 C C29 N Y N 0 -4.089 1.591 0.842
35 C30 C C30 N N N 0 -5.517 1.822 0.42
36 C31 C C31 N N N 0 -0.817 -0.255 3.541
37 O1' O O1* N N N 0 3.121 0.115 -0.441
38 C1' C C1* R N N 0 4.399 0.331 0.163
39 C2' C C2* R N N 0 5.495 0.097 -0.88
40 N2' N N2* N N N 1 5.33 1.048 -1.987
41 C2M C C2M N N N 0 5.553 2.414 -1.497
42 C3' C C3* R N N 0 5.382 -1.336 -1.413
43 O3' O O3* N N N 0 6.488 -1.615 -2.274
44 C4' C C4* R N N 0 5.395 -2.304 -0.224
45 O4' O O4* N N N 0 6.671 -2.256 0.418
46 C5' C C5* R N N 0 4.305 -1.89 0.767
47 C5M C C5M N N N 0 4.288 -2.869 1.943
48 O5' O O5* N N N 0 4.567 -0.574 1.252
49 H2 H H2 N N N 0 1.543 -2.046 1.51
50 H5 H H5 N N N 0 -2.118 0.169 -0.938
51 H7 H H7 N N N 0 -0.382 -4.225 1.864
52 H8 H H8 N N N 0 -2.814 -4.604 1.139
53 HO9 H HO9 N N N 0 -3.534 -1.751 1.736
54 H10 H H10 N N N 0 0.446 1.744 -1.822
55 H11 H H11 N N N 0 2.392 2.512 -0.564
56 H12 H H12 N N N 0 2.562 0.646 1.485
57 H13 H H13 N N N 0 -2.23 -3.352 -1.786
58 H171 H 1H17 N N N 0 -4.017 -4.808 -1.768
59 H172 H 2H17 N N N 0 -4.592 -4.082 -0.233
60 H22 H H22 N N N 0 -2.64 4.5 -2.394
61 H23 H H23 N N N 0 -4.358 3.335 -1.208
62 H26 H H26 N N N 0 -0.427 0.995 1.925
63 H28 H H28 N N N 0 -4.611 0.218 2.385
64 H301 H 1H30 N N N 0 -5.79 1.101 -0.349
65 H302 H 2H30 N N N 0 -6.175 1.701 1.282
66 H303 H 3H30 N N N 0 -5.62 2.833 0.024
67 H311 H 1H31 N N N 0 -0.573 0.742 3.907
68 H312 H 2H31 N N N 0 -0.535 -0.996 4.29
69 H313 H 3H31 N N N 0 -0.271 -0.447 2.618
70 H1' H H1* N N N 0 4.458 1.355 0.53
71 H2' H H2* N N N 0 6.472 0.239 -0.419
72 HN21 H 1HN2 N N N 0 4.396 0.972 -2.36
73 HN22 H 2HN2 N N N 0 6.0 0.838 -2.713
74 HM21 H 1HM2 N N N 0 5.431 3.12 -2.318
75 HM22 H 2HM2 N N N 0 4.83 2.641 -0.713
76 HM23 H 3HM2 N N N 0 6.562 2.496 -1.094
77 H3' H H3* N N N 0 4.45 -1.448 -1.966
78 HO3' H *HO3 N N N 0 6.377 -2.524 -2.586
79 H4' H H4* N N N 0 5.201 -3.317 -0.577
80 HO4' H *HO4 N N N 0 6.635 -2.878 1.157
81 H5' H H5* N N N 0 3.336 -1.906 0.268
82 HM51 H 1HM5 N N N 0 5.214 -2.773 2.509
83 HM52 H 2HM5 N N N 0 3.44 -2.645 2.59
84 HM53 H 3HM5 N N N 0 4.197 -3.888 1.565