Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B1X

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 50


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C4 N Y N 0 3.98 -0.615 0.274
2 C2 C C5 N Y N 0 3.798 -2.003 0.156
3 C3 C C6 N Y N 0 4.937 -2.826 0.183
4 C4 C C8 N Y N 0 1.835 -1.086 0.077
5 N1 N N1 N Y N 0 6.129 -2.253 0.319
6 N2 N N3 N Y N 0 5.212 -0.133 0.402
7 N3 N NAA N N N 0 -3.481 -5.889 0.967
8 C5 C CAH N N N 0 -3.592 -4.9 0.42
9 C6 C CAW N Y N 0 -3.732 -3.653 -0.27
10 C7 C CAN N Y N 0 -3.467 -2.455 0.392
11 C8 C CAK N Y N 0 -4.129 -3.634 -1.609
12 C9 C CAI N Y N 0 -4.265 -2.431 -2.275
13 C10 C CAL N Y N 0 -4.009 -1.241 -1.624
14 C11 C CAY N Y N 0 -3.605 -1.246 -0.286
15 C12 C CAV N N N 0 -3.327 0.029 0.408
16 O1 O OAC N N N 0 -2.976 0.024 1.572
17 N4 N NAS N N N 0 -3.461 1.198 -0.25
18 S1 S SBG N N N 0 -3.149 2.626 0.528
19 O2 O OAD N N N 0 -3.346 3.657 -0.431
20 O3 O OAE N N N 0 -3.848 2.571 1.764
21 O4 O O5* N N N 0 -1.667 2.637 0.873
22 C13 C C5* N N N 0 -0.812 2.885 -0.246
23 C14 C C4* R N N 0 0.647 2.873 0.215
24 O5 O O4* N N N 0 1.013 1.551 0.645
25 C15 C C3* S N N 0 1.571 3.245 -0.961
26 O6 O O3* N N N 0 2.319 4.423 -0.656
27 C16 C C2* R N N 0 2.513 2.025 -1.103
28 O7 O O2* N N N 0 3.855 2.445 -1.362
29 C17 C C1* R N N 0 2.401 1.363 0.294
30 N5 N N9 N Y N 0 2.725 -0.063 0.217
31 N6 N N7 N Y N 0 2.467 -2.223 0.035
32 C18 C C2 N Y N 0 6.249 -0.943 0.427
33 N7 N N6 N N N 0 4.821 -4.2 0.071
34 H1 H H1 N N N 0 0.763 -0.97 0.003
35 H7 H H7 N N N 0 -3.155 -2.464 1.426
36 H8 H H8 N N N 0 -4.331 -4.561 -2.125
37 H9 H H9 N N N 0 -4.571 -2.422 -3.311
38 H10 H H10 N N N 0 -4.117 -0.305 -2.151
39 H11 H H11 N N N 0 -3.741 1.202 -1.178
40 H12 H H12 N N N 0 -0.962 2.109 -0.996
41 H13 H H13 N N N 0 -1.05 3.858 -0.676
42 H14 H H14 N N N 0 0.782 3.58 1.034
43 H15 H H15 N N N 0 0.99 3.386 -1.872
44 H16 H H16 N N N 0 2.959 4.67 -1.337
45 H17 H H17 N N N 0 2.161 1.35 -1.882
46 H18 H H18 N N N 0 3.959 2.943 -2.183
47 H19 H H19 N N N 0 3.049 1.867 1.011
48 H20 H H20 N N N 0 7.237 -0.519 0.536
49 H21 H H21 N N N 0 3.945 -4.606 -0.027
50 H22 H H22 N N N 0 5.614 -4.758 0.091