Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : MK1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 92


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 0.011 0.044 5.54
2 C1 C C1 N N N 0 1.228 -0.429 4.871
3 C2 C C2 S N N 0 1.387 0.283 3.527
4 C3 C C3 N N N 0 2.675 -0.151 2.878
5 O1 O O1 N N N 0 2.654 -0.693 1.793
6 N2 N N2 N N N 0 3.851 0.06 3.502
7 C4 C C4 N N N 0 5.103 -0.362 2.871
8 C5 C C5 N N N 0 6.279 -0.006 3.782
9 C6 C C6 N N N 0 5.264 0.352 1.528
10 C7 C C7 N N N 0 5.073 -1.875 2.643
11 C10 C C10 N N N 0 0.413 0.75 1.434
12 N3 N N3 N N N 0 0.259 -0.056 2.652
13 C8 C C8 N N N 0 -0.957 0.418 3.321
14 C9 C C9 N N N 0 -1.116 -0.294 4.664
15 C11 C C11 S N N 0 -0.56 0.25 0.365
16 O2 O O2 N N N 0 -1.901 0.511 0.783
17 C12 C C12 N N N 0 -0.286 0.977 -0.953
18 C13 C C13 R N N 0 -1.135 0.355 -2.063
19 C14 C C14 N N N 0 -2.611 0.677 -1.818
20 C15 C C15 N Y N 0 -3.45 0.033 -2.892
21 C16 C C16 N Y N 0 -3.835 -1.288 -2.769
22 C17 C C17 N Y N 0 -4.605 -1.878 -3.753
23 C18 C C18 N Y N 0 -4.991 -1.146 -4.86
24 C19 C C19 N Y N 0 -4.607 0.175 -4.983
25 C20 C C20 N Y N 0 -3.841 0.767 -3.996
26 C21 C C21 N N N 0 -0.712 0.92 -3.395
27 O3 O O3 N N N 0 -0.436 2.097 -3.495
28 N4 N N4 N N N 0 -0.64 0.117 -4.475
29 C22 C C22 S N N 0 -0.121 0.638 -5.742
30 C23 C C23 R N N 0 -0.719 -0.145 -6.929
31 O4 O O4 N N N 0 -1.078 -1.47 -6.534
32 C24 C C24 N N N 0 0.451 -0.167 -7.935
33 C25 C C25 N Y N 0 1.702 -0.05 -7.09
34 C26 C C26 N Y N 0 3.023 -0.327 -7.399
35 C27 C C27 N Y N 0 4.012 -0.143 -6.453
36 C28 C C28 N Y N 0 3.683 0.32 -5.193
37 C29 C C29 N Y N 0 2.366 0.597 -4.882
38 C30 C C30 N Y N 0 1.373 0.414 -5.829
39 C31 C C31 N N N 0 -0.142 -0.762 6.758
40 C32 C C32 N Y N 0 -1.38 -0.324 7.498
41 C33 C C33 N Y N 0 -1.308 0.67 8.454
42 N5 N N5 N Y N 0 -2.388 1.062 9.102
43 C34 C C34 N Y N 0 -3.568 0.519 8.875
44 C35 C C35 N Y N 0 -3.716 -0.485 7.937
45 C36 C C36 N Y N 0 -2.604 -0.919 7.232
46 H11A H 1H1 N N N 0 1.155 -1.504 4.704
47 H12 H 2H1 N N N 0 2.094 -0.217 5.499
48 H2 H H2 N N N 0 1.409 1.361 3.689
49 HN2 H HN2 N N N 0 3.867 0.494 4.37
50 H51 H 1H5 N N N 0 7.211 -0.321 3.312
51 H52 H 2H5 N N N 0 6.3 1.071 3.944
52 H53 H 3H5 N N N 0 6.165 -0.515 4.739
53 H61 H 1H6 N N N 0 5.285 1.43 1.69
54 H62 H 2H6 N N N 0 6.195 0.037 1.058
55 H63 H 3H6 N N N 0 4.425 0.098 0.878
56 H71 H 1H7 N N N 0 4.959 -2.384 3.6
57 H72 H 2H7 N N N 0 4.235 -2.128 1.994
58 H73 H 3H7 N N N 0 6.005 -2.19 2.173
59 H81 H 1H8 N N N 0 -1.823 0.207 2.693
60 H82 H 2H8 N N N 0 -0.885 1.493 3.488
61 H91 H 1H9 N N N 0 -1.139 -1.372 4.502
62 H92 H 2H9 N N N 0 -2.048 0.02 5.134
63 H101 H 1H10 N N N 0 0.199 1.794 1.66
64 H102 H 2H10 N N N 0 1.435 0.66 1.065
65 H11 H H11 N N N 0 -0.425 -0.821 0.223
66 HO2 H HO2 N N N 0 -1.977 1.468 0.896
67 H121 H 1H12 N N N 0 -0.542 2.031 -0.847
68 H122 H 2H12 N N N 0 0.769 0.883 -1.207
69 H13 H H13 N N N 0 -0.995 -0.725 -2.066
70 H141 H 1H14 N N N 0 -2.909 0.292 -0.843
71 H142 H 2H14 N N N 0 -2.756 1.757 -1.842
72 H16 H H16 N N N 0 -3.533 -1.86 -1.904
73 H19 H H19 N N N 0 -4.909 0.747 -5.848
74 H20 H H20 N N N 0 -3.541 1.8 -4.092
75 HN4 H HN4 N N N 0 -0.932 -0.805 -4.414
76 H22 H H22 N N N 0 -0.35 1.7 -5.836
77 H23 H H23 N N N 0 -1.578 0.379 -7.347
78 HO4 H HO4 N N N 0 -1.377 -1.928 -7.331
79 H241 H 1H24 N N N 0 0.456 -1.105 -8.49
80 H242 H 2H24 N N N 0 0.377 0.677 -8.62
81 H26 H H26 N N N 0 3.281 -0.689 -8.384
82 H27 H H27 N N N 0 5.041 -0.36 -6.697
83 H28 H H28 N N N 0 4.454 0.464 -4.451
84 H29 H H29 N N N 0 2.109 0.959 -3.898
85 H311 H 1H31 N N N 0 -0.233 -1.814 6.488
86 H312 H 2H31 N N N 0 0.73 -0.625 7.397
87 H33 H H33 N N N 0 -0.359 1.138 8.667
88 H34 H H34 N N N 0 -4.43 0.864 9.428
89 H35 H H35 N N N 0 -4.685 -0.925 7.755
90 H17 H H17 N N N 0 -4.904 -2.911 -3.657
91 H18 H H18 N N N 0 -5.592 -1.608 -5.63
92 H36 H H36 N N N 0 -2.689 -1.702 6.493