Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ARE

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 108


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1A C C1A R N N 0 6.458 1.574 1.034
2 C2A C C2A R N N 0 6.375 3.09 1.228
3 C3A C C3A S N N 0 6.17 3.759 -0.134
4 C4A C C4A S N N 0 7.275 3.284 -1.085
5 C5A C C5A R N N 0 7.29 1.753 -1.105
6 C6A C C6A N N N 0 8.369 1.27 -2.077
7 O2A O O2A N N N 0 5.275 3.402 2.085
8 O3A O O3A N N N 0 6.239 5.179 0.01
9 O4A O O4A N N N 0 7.02 3.777 -2.401
10 O5A O O5A N N N 0 7.572 1.255 0.201
11 O6A O O6A N N N 0 8.304 -0.153 -2.192
12 C1B C C1B S N N 0 3.566 -2.608 0.975
13 C2B C C2B R N N 0 4.36 -2.083 2.173
14 C3B C C3B R N N 0 4.561 -0.572 2.018
15 C4B C C4B S N N 0 5.194 -0.302 0.648
16 C5B C C5B R N N 0 4.338 -0.96 -0.436
17 C6B C C6B N N N 0 4.945 -0.667 -1.809
18 O2B O O2B N N N 0 3.637 -2.347 3.378
19 O3B O O3B N N N 0 5.425 -0.092 3.049
20 O4B O O4B N N N 0 5.256 1.107 0.418
21 O5B O O5B N N N 0 4.296 -2.371 -0.228
22 O6B O O6B N N N 0 4.098 -1.201 -2.829
23 C1C C C1C R N N 0 -5.794 -0.337 -1.427
24 C2C C C2C R N N 0 -5.686 -1.863 -1.465
25 C3C C C3C S N N 0 -4.58 -2.309 -0.502
26 C4C C C4C S N N 0 -3.293 -1.554 -0.852
27 C5C C C5C R N N 0 -3.582 -0.052 -0.859
28 C6C C C6C N N N 0 -2.294 0.713 -1.173
29 O2C O O2C N N N 0 -6.931 -2.44 -1.067
30 O3C O O3C N N N 0 -4.367 -3.715 -0.635
31 O5C O O5C N N N 0 -4.563 0.246 -1.85
32 N4C N N4C N N N 0 -2.261 -1.852 0.151
33 C1H C C1H S N N 0 -1.514 -3.016 -0.344
34 C2H C C2H S N N 0 -0.935 -3.789 0.843
35 C3H C C3H R N N 0 0.194 -2.961 1.461
36 C4H C C4H R N N 0 1.349 -2.895 0.459
37 C5H C C5H N N N 0 0.837 -2.495 -0.894
38 C6H C C6H N N N 0 -0.407 -2.551 -1.245
39 C7H C C7H N N N 0 1.835 -1.995 -1.907
40 O2H O O2H N N N 0 -1.957 -4.012 1.817
41 O3H O O3H N N N 0 0.641 -3.576 2.67
42 O4H O O4H N N N 0 2.307 -1.935 0.907
43 O7H O O7H N N N 0 1.191 -1.84 -3.173
44 C1G C C1G S N N 0 -8.068 3.56 0.884
45 C2G C C2G R N N 0 -8.376 3.024 -0.516
46 C3G C C3G R N N 0 -7.939 1.557 -0.597
47 C4G C C4G S N N 0 -6.47 1.459 -0.169
48 C5G C C5G R N N 0 -6.304 2.114 1.204
49 C6G C C6G N N N 0 -4.847 1.993 1.654
50 O1G O O1G N N Y 0 -8.758 2.772 1.856
51 O2G O O2G N N N 0 -9.779 3.12 -0.769
52 O3G O O3G N N N 0 -8.08 1.085 -1.938
53 O4G O O4G N N N 0 -6.085 0.085 -0.093
54 O5G O O5G N N N 0 -6.665 3.492 1.13
55 O6G O O6G N N N 0 -4.715 2.502 2.983
56 H1A H H1A N N N 0 6.58 1.091 2.003
57 H2A H H2A N N N 0 7.301 3.451 1.676
58 H3A H H3A N N N 0 5.196 3.479 -0.536
59 H4A H H4A N N N 0 8.239 3.653 -0.737
60 H5A H H5A N N N 0 6.318 1.385 -1.432
61 H6A1 H 1H6A N N N 0 8.205 1.722 -3.056
62 H6A2 H 2H6A N N N 0 9.351 1.56 -1.703
63 H9 H H9 N N N 0 5.445 2.963 2.929
64 H8 H H8 N N N 0 5.528 5.434 0.614
65 H7 H H7 N N N 0 7.019 4.742 -2.343
66 H6A H H6A N N N 0 8.998 -0.415 -2.812
67 H1B H H1B N N N 0 3.399 -3.678 1.092
68 H2B H H2B N N N 0 5.33 -2.578 2.213
69 H3B H H3B N N N 0 3.598 -0.066 2.082
70 H4B H H4B N N N 0 6.2 -0.72 0.622
71 H5B H H5B N N N 0 3.326 -0.557 -0.393
72 H6B1 H 1H6B N N N 0 5.039 0.411 -1.943
73 H6B2 H 2H6B N N N 0 5.93 -1.128 -1.877
74 H11 H H11 N N N 0 3.533 -3.307 3.436
75 H10 H H10 N N N 0 4.989 -0.282 3.891
76 H6B H H6B N N N 0 4.473 -0.927 -3.676
77 H1C H H1C N N N 0 -6.595 -0.013 -2.092
78 H2C H H2C N N N 0 -5.441 -2.186 -2.477
79 H3C H H3C N N N 0 -4.873 -2.079 0.523
80 H4C H H4C N N N 0 -2.944 -1.865 -1.837
81 H5C H H5C N N N 0 -3.953 0.251 0.12
82 H6C1 H 1H6C N N N 0 -2.524 1.768 -1.318
83 H6C2 H 2H6C N N N 0 -1.596 0.604 -0.342
84 H6C3 H 3H6C N N N 0 -1.844 0.31 -2.08
85 H4 H H4 N N N 0 -7.597 -2.128 -1.695
86 H5 H H5 N N N 0 -5.205 -4.147 -0.418
87 H6 H H6 N N N 0 -1.619 -1.073 0.146
88 H1H H H1H N N N 0 -2.187 -3.665 -0.905
89 H2H H H2H N N N 0 -0.542 -4.746 0.499
90 H3H H H3H N N N 0 -0.164 -1.953 1.673
91 H4H H H4H N N N 0 1.823 -3.874 0.39
92 H6H H H6H N N N 0 -0.665 -2.245 -2.248
93 H7H1 H 1H7H N N N 0 2.233 -1.034 -1.581
94 H7H2 H 2H7H N N N 0 2.65 -2.713 -1.999
95 H13 H H13 N N N 0 -1.545 -4.489 2.55
96 H12 H H12 N N N 0 -0.116 -3.596 3.271
97 H7H H H7H N N N 0 1.879 -1.601 -3.809
98 H1G H H1G N N N 0 -8.398 4.596 0.956
99 H2G H H2G N N N 0 -7.831 3.609 -1.258
100 H3G H H3G N N N 0 -8.555 0.955 0.07
101 H4G H H4G N N N 0 -5.843 1.974 -0.896
102 H5G H H5G N N N 0 -6.949 1.609 1.924
103 H6G1 H 1H6G N N N 0 -4.546 0.945 1.635
104 H6G2 H 2H6G N N N 0 -4.21 2.566 0.981
105 H3 H H3 N N N 0 -8.538 3.142 2.722
106 H2 H H2 N N N 0 -10.011 4.057 -0.708
107 H1 H H1 N N N 0 -9.016 1.165 -2.166
108 H6G H H6G N N N 0 -3.784 2.407 3.227