Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1KR

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 -0.997 4.798 -0.964
2 C11 C C11 N N N 0 -1.816 0.086 0.015
3 C13 C C13 S N N 0 -2.783 -0.569 -0.937
4 C14 C C14 N N N 0 -2.678 0.098 -2.31
5 C16 C C16 N N N 0 -5.102 -1.301 -0.783
6 C18 C C18 N Y N 0 -8.665 -1.847 -0.104
7 C19 C C19 N Y N 0 -9.561 -1.023 -0.758
8 C2 C C2 N Y N 0 -0.908 6.146 -1.252
9 C20 C C20 N Y N 0 -10.785 -0.739 -0.183
10 C21 C C21 N Y N 0 -11.113 -1.278 1.047
11 C22 C C22 N Y N 0 -10.217 -2.103 1.701
12 C23 C C23 N Y N 0 -8.995 -2.392 1.123
13 C25 C C25 N N N 0 1.825 0.063 0.522
14 C26 C C26 S N N 0 1.753 -1.401 0.961
15 C27 C C27 N N N 0 2.584 -1.816 2.178
16 C28 C C28 S N N 0 3.007 -2.257 0.775
17 C3 C C3 N Y N 0 -0.528 7.04 -0.268
18 C30 C C30 N N N 0 5.109 -2.353 -0.454
19 C32 C C32 R N N 0 6.321 -1.69 -1.056
20 C34 C C34 S N N 0 7.181 -1.09 0.059
21 C35 C C35 S N N 0 8.344 -0.311 -0.558
22 C36 C C36 N N N 0 7.795 0.813 -1.439
23 C37 C C37 N N N 0 9.203 0.289 0.557
24 C38 C C38 N N N 0 10.434 0.962 -0.054
25 C39 C C39 N N N 0 7.722 -2.197 0.927
26 C4 C C4 N Y N 0 -0.237 6.585 1.004
27 C41 C C41 N N N 0 -7.33 -2.157 -0.731
28 C5 C C5 N Y N 0 -0.332 5.237 1.294
29 C6 C C6 N Y N 0 -0.706 4.342 0.309
30 C7 C C7 N N N 0 -0.804 2.872 0.624
31 C8 C C8 N N N 0 0.545 2.202 0.353
32 C9 C C9 R N N 0 0.446 0.709 0.673
33 H1 H H1 N N N 0 0.812 2.332 -0.696
34 H10 H H10 N N N 0 10.116 1.753 -0.733
35 H11 H H11 N N N 0 7.182 0.385 -2.233
36 H12 H H12 N N N 0 7.187 1.485 -0.834
37 H13 H H13 N N N 0 8.623 1.368 -1.878
38 H14 H H14 N N N 0 6.003 -0.899 -1.735
39 H15 H H15 N N N 0 7.402 -3.394 -1.234
40 H16 H H16 N N N 0 4.301 -0.652 0.266
41 H17 H H17 N N N 0 2.867 -3.306 0.514
42 H18 H H18 N N N 0 2.165 -2.574 2.839
43 H19 H H19 N N N 0 3.182 -1.046 2.665
44 H2 H H2 N N N 0 8.35 -2.963 0.497
45 H20 H H20 N N N 0 0.787 -1.887 0.822
46 H21 H H21 N N N 0 2.545 0.594 1.145
47 H22 H H22 N N N 0 2.139 0.115 -0.52
48 H23 H H23 N N N 0 0.094 0.579 1.696
49 H24 H H24 N N N 0 1.31 2.658 0.982
50 H25 H H25 N N N 0 -1.568 2.415 -0.0050
51 H26 H H26 N N N 0 -1.293 4.099 -1.732
52 H27 H H27 N N N 0 -1.134 6.502 -2.247
53 H28 H H28 N N N 0 -0.458 8.094 -0.494
54 H29 H H29 N N N 0 0.06 7.283 1.773
55 H3 H H3 N N N 0 -1.07 2.741 1.673
56 H30 H H30 N N N 0 -0.105 4.881 2.289
57 H31 H H31 N N N 0 -0.167 -0.358 -1.058
58 H32 H H32 N N N 0 -2.543 -1.628 -1.028
59 H33 H H33 N N N 0 -1.663 -0.013 -2.691
60 H34 H H34 N N N 0 -3.378 -0.376 -2.998
61 H35 H H35 N N N 0 -2.918 1.157 -2.219
62 H36 H H36 N N N 0 -4.365 0.314 0.172
63 H37 H H37 N N N 0 -7.424 -2.134 -1.816
64 H38 H H38 N N N 0 -7.002 -3.148 -0.416
65 H39 H H39 N N N 0 -9.304 -0.601 -1.719
66 H4 H H4 N N N 0 6.573 -0.418 0.664
67 H40 H H40 N N N 0 -11.485 -0.094 -0.694
68 H41 H H41 N N N 0 -12.069 -1.055 1.497
69 H42 H H42 N N N 0 -10.473 -2.524 2.662
70 H43 H H43 N N N 0 -8.295 -3.036 1.634
71 H5 H H5 N N N 0 8.952 -0.983 -1.163
72 H6 H H6 N N N 0 8.621 1.028 1.107
73 H7 H H7 N N N 0 9.522 -0.502 1.236
74 H8 H H8 N N N 0 11.046 1.39 0.74
75 H9 H H9 N N N 0 11.017 0.224 -0.605
76 N10 N N10 N N N 0 -0.495 0.073 -0.252
77 N15 N N15 N N N 0 -4.148 -0.419 -0.425
78 N29 N N29 N N N 0 4.186 -1.612 0.19
79 O12 O O12 N N N 0 -2.225 0.624 1.022
80 O17 O O17 N N N 0 -4.831 -2.22 -1.53
81 O24 O O24 N N N 0 -6.355 -1.167 -0.308
82 O31 O O31 N N N 0 4.965 -3.554 -0.548
83 O33 O O33 N N N 0 7.085 -2.659 -1.777
84 O40 O O40 N N N 0 7.453 -2.227 2.104