Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : MTX

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 2.395 0.559 5.47
2 C2 C C2 N Y N 0 2.31 0.209 6.738
3 NA2 N NA2 N N N 0 3.481 0.08 7.461
4 N3 N N3 N Y N 0 1.158 -0.024 7.359
5 C4 C C4 N Y N 0 0.0 0.081 6.723
6 NA4 N NA4 N N N 0 -1.192 -0.161 7.369
7 C4A C C4A N Y N 0 0.031 0.467 5.311
8 N5 N N5 N Y N 0 -1.077 0.604 4.591
9 C6 C C6 N Y N 0 -0.989 0.948 3.324
10 C7 C C7 N Y N 0 0.253 1.179 2.735
11 N8 N N8 N Y N 0 1.363 1.054 3.431
12 C8A C C8A N Y N 0 1.297 0.701 4.717
13 C9 C C9 N N N 0 -2.244 1.099 2.503
14 N10 N N10 N N N 0 -2.574 -0.182 1.875
15 CM C CM N N N 0 -3.438 -1.138 2.572
16 C11 C C11 N Y N 0 -1.056 -1.107 -1.887
17 C12 C C12 N Y N 0 -1.881 -2.019 -1.221
18 C13 C C13 N Y N 0 -2.381 -1.71 0.022
19 C14 C C14 N Y N 0 -2.067 -0.491 0.618
20 C15 C C15 N Y N 0 -1.25 0.42 -0.045
21 C16 C C16 N Y N 0 -0.742 0.114 -1.286
22 C C C N N N 0 -0.518 -1.436 -3.221
23 O O O N N N 0 -0.792 -2.5 -3.742
24 N N N N N N 0 0.276 -0.556 -3.862
25 CA C CA S N N 0 0.811 -0.882 -5.186
26 CT C CT N N N 0 2.135 -1.584 -5.034
27 O1 O O1 N N N 0 2.489 -2.392 -5.861
28 O2 O O2 N N N 0 2.922 -1.313 -3.981
29 CB C CB N N N 0 1.005 0.405 -5.989
30 CG C CG N N N 0 -0.339 1.118 -6.143
31 CD C CD N N N 0 -0.148 2.386 -6.933
32 OE1 O OE1 N N N 0 0.951 2.689 -7.333
33 OE2 O OE2 N N N 0 -1.198 3.18 -7.194
34 HN21 H 1HN2 N N N 0 3.448 -0.175 8.396
35 HN22 H 2HN2 N N N 0 4.335 0.246 7.033
36 HN41 H 1HN4 N N N 0 -1.193 -0.415 8.305
37 HN42 H 2HN4 N N N 0 -2.03 -0.078 6.887
38 H7 H H7 N N N 0 0.305 1.464 1.695
39 H91 H 1H9 N N N 0 -2.084 1.851 1.731
40 H92 H 2H9 N N N 0 -3.065 1.409 3.149
41 HM1 H 1HM N N N 0 -3.735 -0.724 3.535
42 HM2 H 2HM N N N 0 -4.326 -1.331 1.97
43 HM3 H 3HM N N N 0 -2.896 -2.071 2.729
44 H12 H H12 N N N 0 -2.125 -2.964 -1.682
45 H13 H H13 N N N 0 -3.018 -2.413 0.538
46 H15 H H15 N N N 0 -1.008 1.364 0.419
47 H16 H H16 N N N 0 -0.105 0.82 -1.798
48 HN H HN N N N 0 0.494 0.292 -3.446
49 HA H HA N N N 0 0.112 -1.535 -5.71
50 HO2 H HO2 N N N 0 3.772 -1.763 -3.884
51 HB1 H 1HB N N N 0 1.704 1.057 -5.465
52 HB2 H 2HB N N N 0 1.403 0.162 -6.974
53 HG1 H 1HG N N N 0 -1.038 0.465 -6.666
54 HG2 H 2HG N N N 0 -0.737 1.36 -5.157
55 HOE2 H 2HOE N N N 0 -1.075 3.994 -7.701