Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4B5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 101


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O47 O O6 N N N 0 -5.853 1.05 0.267
2 C04 C C17 N N N 0 -5.298 0.715 -0.76
3 O03 O O1 N N N 0 -5.541 1.382 -1.905
4 C02 C C18 N N N 0 -6.477 2.489 -1.837
5 C01 C C19 N N N 0 -6.624 3.119 -3.224
6 C48 C C38 N N N 0 -7.839 1.978 -1.362
7 C49 C C39 N N N 0 -5.956 3.539 -0.853
8 N05 N N1 N N N 0 -4.435 -0.319 -0.753
9 C06 C C16 S N N 0 -4.166 -1.041 0.493
10 C07 C C15 S N N 0 -2.786 -1.696 0.416
11 O39 O O5 N N N 0 -2.754 -2.612 -0.681
12 C40 C C31 N N N 0 -5.232 -2.119 0.699
13 C41 C C32 N Y N 0 -6.575 -1.465 0.898
14 C42 C C33 N Y N 0 -7.383 -1.201 -0.192
15 C43 C C34 N Y N 0 -7.002 -1.136 2.171
16 C44 C C35 N Y N 0 -8.615 -0.601 -0.009
17 C45 C C36 N Y N 0 -8.234 -0.537 2.353
18 C46 C C37 N Y N 0 -9.039 -0.266 1.263
19 C08 C C14 N N N 0 -1.72 -0.618 0.21
20 C09 C C13 R N N 0 -0.33 -1.25 0.308
21 C10 C C20 N N N 0 0.717 -0.166 0.289
22 O31 O O4 N N N 0 0.615 0.762 -0.485
23 C32 C C24 N N N 0 -0.113 -2.19 -0.88
24 C33 C C25 N Y N 0 1.206 -2.903 -0.722
25 C34 C C26 N Y N 0 2.338 -2.408 -1.341
26 C35 C C27 N Y N 0 1.283 -4.049 0.047
27 C36 C C28 N Y N 0 3.547 -3.062 -1.196
28 C37 C C29 N Y N 0 2.493 -4.703 0.193
29 C38 C C30 N Y N 0 3.624 -4.212 -0.432
30 N11 N N2 N N N 0 1.768 -0.229 1.13
31 C12 C C12 S N N 0 2.729 0.875 1.186
32 C13 C C11 N N N 0 4.131 0.322 1.15
33 O26 O O3 N N N 0 4.339 -0.826 1.481
34 C27 C C23 N N N 0 2.525 1.664 2.481
35 C28 C C3 N N N 0 1.147 2.328 2.461
36 C30 C C1 N N N 0 0.892 3.014 3.805
37 C29 C C2 N N N 0 1.098 3.369 1.341
38 N14 N N3 N N N 0 5.153 1.105 0.751
39 C15 C C10 S N N 0 6.516 0.568 0.716
40 C16 C C9 N N N 0 7.141 0.695 2.081
41 O18 O O2 N N N 0 6.511 1.187 2.993
42 C19 C C21 N N N 0 7.347 1.352 -0.301
43 C20 C C7 N Y N 0 6.794 1.125 -1.685
44 C22 C C4 N Y N 0 7.26 0.074 -2.452
45 C21 C C8 N Y N 0 5.815 1.964 -2.184
46 C24 C C6 N Y N 0 6.753 -0.134 -3.721
47 C23 C C5 N Y N 0 5.307 1.755 -3.452
48 C25 C C22 N Y N 0 5.778 0.708 -4.222
49 N17 N N4 N N N 0 8.401 0.264 2.288
50 H19 H H19 N N N 0 -6.996 2.371 -3.924
51 H20 H H20 N N N 0 -7.327 3.95 -3.172
52 H21 H H21 N N N 0 -5.654 3.484 -3.562
53 H47 H H47 N N N 0 -7.734 1.529 -0.374
54 H48 H H48 N N N 0 -8.542 2.809 -1.311
55 H49 H H49 N N N 0 -8.21 1.23 -2.063
56 H50 H H50 N N N 0 -4.985 3.903 -1.191
57 H51 H H51 N N N 0 -6.659 4.37 -0.802
58 H52 H H52 N N N 0 -5.851 3.09 0.135
59 H24 H H24 N N N 0 -3.991 -0.587 -1.573
60 H18 H H18 N N N 0 -4.19 -0.342 1.33
61 H17 H H17 N N N 0 -2.586 -2.233 1.343
62 H39 H H39 N N N 0 -2.924 -2.203 -1.54
63 H40 H H40 N N N 0 -5.268 -2.765 -0.178
64 H41 H H41 N N N 0 -4.983 -2.713 1.578
65 H42 H H42 N N N 0 -7.052 -1.463 -1.186
66 H43 H H43 N N N 0 -6.372 -1.347 3.023
67 H44 H H44 N N N 0 -9.247 -0.394 -0.861
68 H45 H H45 N N N 0 -8.567 -0.28 3.348
69 H46 H H46 N N N 0 -10.002 0.202 1.406
70 H15 H H15 N N N 0 -1.845 -0.166 -0.773
71 H16 H H16 N N N 0 -1.825 0.148 0.979
72 H14 H H14 N N N 0 -0.251 -1.815 1.237
73 H32 H H32 N N N 0 -0.919 -2.922 -0.916
74 H33 H H33 N N N 0 -0.104 -1.612 -1.804
75 H34 H H34 N N N 0 2.278 -1.51 -1.938
76 H35 H H35 N N N 0 0.4 -4.434 0.535
77 H36 H H36 N N N 0 4.431 -2.676 -1.681
78 H37 H H37 N N N 0 2.554 -5.598 0.794
79 H38 H H38 N N N 0 4.568 -4.723 -0.319
80 H25 H H25 N N N 0 1.887 -1.006 1.7
81 H13 H H13 N N N 0 2.576 1.533 0.331
82 H30 H H30 N N N 0 2.59 0.988 3.333
83 H31 H H31 N N N 0 3.296 2.43 2.565
84 H7 H H7 N N N 0 0.382 1.572 2.288
85 H1 H H1 N N N 0 1.657 3.77 3.978
86 H2 H H2 N N N 0 -0.09 3.487 3.791
87 H3 H H3 N N N 0 0.927 2.272 4.603
88 H4 H H4 N N N 0 1.863 4.125 1.514
89 H5 H H5 N N N 0 1.28 2.881 0.383
90 H6 H H6 N N N 0 0.116 3.842 1.327
91 H26 H H26 N N N 0 4.987 2.023 0.486
92 H12 H H12 N N N 0 6.485 -0.483 0.427
93 H22 H H22 N N N 0 7.305 2.415 -0.063
94 H23 H H23 N N N 0 8.382 1.012 -0.264
95 H8 H H8 N N N 0 8.022 -0.585 -2.06
96 H11 H H11 N N N 0 5.447 2.782 -1.583
97 H10 H H10 N N N 0 7.118 -0.955 -4.32
98 H9 H H9 N N N 0 4.542 2.41 -3.842
99 H29 H H29 N N N 0 5.382 0.545 -5.214
100 H27 H H27 N N N 0 8.906 -0.129 1.558
101 H28 H H28 N N N 0 8.804 0.346 3.167