Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : YA7

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 66


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 7.58 1.019 -2.023
2 C3 C C2 N Y N 0 5.61 0.392 -0.852
3 C5 C C3 N Y N 0 3.769 1.75 -1.153
4 C6 C C4 N Y N 0 2.995 0.958 -0.311
5 C7 C C5 N Y N 0 1.576 1.304 -0.046
6 C8 C C6 N Y N 0 0.584 0.335 -0.181
7 C11 C C7 N Y N 0 -1.482 -1.676 -0.46
8 C12 C C8 N Y N 0 -2.49 -2.607 -0.584
9 N13 N N1 N Y N 0 -3.748 -2.281 -0.349
10 C16 C C9 N N N 0 -5.891 0.35 -0.597
11 C17 C C10 R N N 0 -7.35 0.676 -0.264
12 C19 C C11 N N N 0 -7.852 1.782 -1.194
13 O20 O O1 N N N 0 -8.148 -0.498 -0.443
14 C21 C C12 S N N 0 -7.735 -1.603 0.364
15 C23 C C13 N N N 0 -8.627 -2.811 0.072
16 C24 C C14 N N N 0 -6.28 -1.952 0.038
17 C27 C C15 N Y N 0 -0.095 2.927 0.594
18 O29 O O2 N N N 0 -1.166 4.957 1.258
19 C31 C C16 N N N 0 2.044 3.843 0.582
20 C32 C C17 N Y N 0 1.236 2.592 0.343
21 C33 C C18 N Y N 0 3.571 -0.17 0.282
22 C34 C C19 N Y N 0 4.9 -0.453 0.003
23 C37 C C20 N N N 0 4.226 -3.53 -0.848
24 O2 O O3 N N N 0 6.909 0.121 -1.136
25 N4 N N2 N Y N 0 5.03 1.449 -1.394
26 C9 C C21 N Y N 0 -0.746 0.664 0.068
27 C10 C C22 N Y N 0 -1.803 -0.369 -0.076
28 C14 C C23 N Y N 0 -4.098 -1.056 0.012
29 N15 N N3 N N N 0 -5.437 -0.764 0.247
30 C25 C C24 N Y N 0 -3.141 -0.062 0.169
31 C26 C C25 N Y N 0 -1.088 1.957 0.452
32 C28 C C26 N N N 0 -0.15 4.351 0.978
33 N30 N N4 N N N 0 1.085 4.881 0.978
34 N35 N N5 N N N 0 5.522 -1.571 0.572
35 S36 S S1 N N N 0 4.658 -2.962 0.82
36 O38 O O4 N N N 0 3.497 -2.534 1.517
37 O39 O O5 N N N 0 5.589 -3.85 1.423
38 H1 H H1 N N N 0 8.609 0.688 -2.165
39 H2 H H2 N N N 0 7.067 1.031 -2.984
40 H3 H H3 N N N 0 7.576 2.022 -1.596
41 H4 H H4 N N N 0 3.332 2.623 -1.615
42 H5 H H5 N N N 0 0.845 -0.669 -0.479
43 H6 H H6 N N N 0 -0.456 -1.952 -0.654
44 H7 H H7 N N N 0 -2.248 -3.618 -0.876
45 H8 H H8 N N N 0 -5.812 0.068 -1.647
46 H9 H H9 N N N 0 -5.271 1.226 -0.408
47 H10 H H10 N N N 0 -7.421 1.01 0.771
48 H11 H H11 N N N 0 -7.782 1.446 -2.229
49 H12 H H12 N N N 0 -8.89 2.013 -0.957
50 H13 H H13 N N N 0 -7.241 2.675 -1.06
51 H14 H H14 N N N 0 -7.817 -1.336 1.418
52 H15 H H15 N N N 0 -8.542 -3.079 -0.982
53 H16 H H16 N N N 0 -8.312 -3.654 0.687
54 H17 H H17 N N N 0 -9.663 -2.561 0.301
55 H18 H H18 N N N 0 -5.943 -2.757 0.691
56 H19 H H19 N N N 0 -6.207 -2.271 -1.002
57 H20 H H20 N N N 0 2.763 3.672 1.384
58 H21 H H21 N N N 0 2.996 -0.805 0.94
59 H22 H H22 N N N 0 5.138 -3.712 -1.418
60 H23 H H23 N N N 0 3.649 -4.452 -0.78
61 H24 H H24 N N N 0 3.632 -2.765 -1.349
62 H25 H H25 N N N 0 -3.429 0.935 0.468
63 H26 H H26 N N N 0 -2.12 2.208 0.645
64 H27 H H27 N N N 0 6.459 -1.531 0.821
65 H28 H H28 N N N 0 2.562 4.14 -0.329
66 H29 H H29 N N N 0 1.306 5.8 1.199