Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : HEA

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 116


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 FE FE FE N N N 0 -2.035 -0.778 -0.637
2 CHA C CHA N N N 0 -4.034 1.531 0.174
3 CHB C CHB N N N 0 -3.161 -2.681 1.619
4 CHC C CHC N N N 0 -0.115 -3.119 -1.54
5 CHD C CHD N N N 0 -1.091 1.037 -3.048
6 NA N NA N N N 0 -3.725 -0.878 0.114
7 C1A C C1A N N N 0 -4.533 0.233 0.308
8 C2A C C2A N N N 0 -5.745 -0.339 0.671
9 C3A C C3A N N N 0 -5.496 -1.674 1.065
10 C4A C C4A N N N 0 -4.102 -1.87 0.988
11 CMA C CMA N N N 0 -6.496 -2.665 1.477
12 OMA O OMA N N N 0 -6.148 -3.783 1.793
13 CAA C CAA N N N 0 -7.089 0.343 0.649
14 CBA C CBA N N N 0 -7.29 1.115 1.955
15 CGA C CGA N N N 0 -8.634 1.797 1.933
16 O1A O O1A N N N 0 -9.356 1.677 0.972
17 O2A O O2A N N N 0 -9.028 2.537 2.981
18 NB N NB N N N 0 -1.186 -2.079 0.357
19 C1B C C1B N N N 0 -1.77 -2.7 1.397
20 C2B C C2B N N N 0 -0.66 -3.417 2.016
21 C3B C C3B N N N 0 0.285 -3.566 1.026
22 C4B C C4B N N N 0 -0.28 -2.928 -0.16
23 CMB C CMB N N N 0 -0.567 -3.895 3.442
24 NC N NC N Y N 0 -1.441 -1.243 -2.328
25 C1C C C1C N Y N 0 -0.688 -2.379 -2.58
26 C2C C C2C N Y N 0 -0.68 -2.427 -3.967
27 C3C C C3C N Y N 0 -1.043 -1.151 -4.451
28 C4C C C4C N Y N 0 -1.21 -0.321 -3.328
29 CMC C CMC N N N 0 -0.343 -3.63 -4.809
30 CAC C CAC N N N 0 -1.214 -0.763 -5.863
31 C2D C C2D N N N 0 -1.115 3.034 -1.321
32 CBC C CBC N N N 0 -0.267 -1.05 -6.75
33 ND N ND N N N 0 -1.856 1.053 -0.752
34 C1D C C1D N N N 0 -1.285 1.669 -1.801
35 C3D C C3D N N N 0 -2.04 3.191 -0.31
36 C4D C C4D N N N 0 -2.737 1.914 -0.215
37 CMD C CMD N N N 0 -0.132 4.061 -1.823
38 CAD C CAD N N N 0 -2.281 4.425 0.522
39 CBD C CBD N N N 0 -3.421 5.239 -0.092
40 CGD C CGD N N N 0 -3.662 6.472 0.74
41 O1D O O1D N N N 0 -2.99 6.679 1.723
42 O2D O O2D N N N 0 -4.623 7.342 0.389
43 C11 C C11 S N N 0 1.625 -4.247 1.142
44 O11 O O11 N N N 0 1.733 -5.26 0.14
45 C12 C C12 N N N 0 2.739 -3.216 0.947
46 C16 C C16 N N N 0 7.191 -1.68 1.749
47 C13 C C13 N N N 0 4.096 -3.88 1.187
48 C14 C C14 N N N 0 5.193 -2.865 0.995
49 C15 C C15 N N N 0 6.015 -2.595 1.979
50 C17 C C17 N N N 0 6.815 -0.254 2.155
51 C18 C C18 N N N 0 7.991 0.66 1.925
52 C19 C C19 N N N 0 7.876 1.683 1.115
53 C20 C C20 N N N 0 9.006 2.672 0.986
54 C21 C C21 N N N 0 9.884 2.29 -0.208
55 C25 C C25 N N N 0 13.388 3.839 -0.444
56 C22 C C22 N N N 0 11.014 3.279 -0.337
57 C23 C C23 N N N 0 12.253 2.881 -0.189
58 C24 C C24 N N N 0 12.543 1.465 0.237
59 C26 C C26 N N N 0 5.785 -3.198 3.341
60 C27 C C27 N N N 0 6.615 1.871 0.312
61 HHA H HHA N N N 0 -4.724 2.333 0.392
62 HHB H HHB N N N 0 -3.539 -3.371 2.359
63 HHC H HHC N N N 0 0.53 -3.934 -1.834
64 HHD H HHD N N N 0 -0.82 1.677 -3.875
65 HMA H HMA N N N 0 -7.543 -2.399 1.497
66 HAA1 H HAA1 N N N 0 -7.132 1.034 -0.192
67 HAA2 H HAA2 N N N 0 -7.874 -0.406 0.545
68 HBA1 H HBA1 N N N 0 -7.247 0.424 2.796
69 HBA2 H HBA2 N N N 0 -6.504 1.864 2.059
70 H2A H H2A N N N 0 -9.898 2.954 2.921
71 HMB1 H HMB1 N N N 0 -1.477 -3.623 3.976
72 HMB2 H HMB2 N N N 0 -0.447 -4.978 3.456
73 HMB3 H HMB3 N N N 0 0.291 -3.428 3.927
74 HMC1 H HMC1 N N N 0 -1.25 -4.2 -5.008
75 HMC2 H HMC2 N N N 0 0.094 -3.302 -5.752
76 HMC3 H HMC3 N N N 0 0.372 -4.258 -4.276
77 HMD1 H HMD1 N N N 0 -0.587 4.636 -2.629
78 HAC H HAC N N N 0 -2.109 -0.246 -6.176
79 HBC1 H HBC1 N N N 0 -0.392 -0.765 -7.784
80 HBC2 H HBC2 N N N 0 0.628 -1.567 -6.436
81 HMD2 H HMD2 N N N 0 0.142 4.731 -1.008
82 HMD3 H HMD3 N N N 0 0.761 3.557 -2.195
83 HAD1 H HAD1 N N N 0 -2.549 4.132 1.537
84 HAD2 H HAD2 N N N 0 -1.374 5.029 0.545
85 HBD1 H HBD1 N N N 0 -3.154 5.532 -1.107
86 HBD2 H HBD2 N N N 0 -4.328 4.634 -0.115
87 H2D H H2D N N N 0 -4.74 8.118 0.954
88 H11 H H11 N N N 0 1.718 -4.7 2.129
89 HO1 H HO1 N N N 0 1.659 -4.927 -0.765
90 H121 H H121 N N N 0 2.7 -2.827 -0.071
91 H122 H H122 N N N 0 2.605 -2.397 1.654
92 H131 H H131 N N N 0 4.135 -4.269 2.205
93 H132 H H132 N N N 0 4.231 -4.699 0.48
94 H14 H H14 N N N 0 5.302 -2.36 0.047
95 H161 H H161 N N N 0 8.036 -2.018 2.348
96 H162 H H162 N N N 0 7.464 -1.697 0.693
97 H171 H H171 N N N 0 5.97 0.084 1.556
98 H172 H H172 N N N 0 6.543 -0.237 3.211
99 H18 H H18 N N N 0 8.928 0.472 2.429
100 H201 H H201 N N N 0 8.599 3.671 0.832
101 H202 H H202 N N N 0 9.606 2.66 1.896
102 H211 H H211 N N N 0 10.291 1.291 -0.055
103 H212 H H212 N N N 0 9.284 2.303 -1.118
104 H22 H H22 N N N 0 10.802 4.316 -0.553
105 H241 H H241 N N N 0 12.545 0.816 -0.638
106 H242 H H242 N N N 0 13.519 1.425 0.722
107 H243 H H243 N N N 0 11.776 1.131 0.936
108 H251 H H251 N N N 0 12.986 4.808 -0.74
109 H252 H H252 N N N 0 13.978 3.954 0.465
110 H253 H H253 N N N 0 14.02 3.449 -1.241
111 H261 H H261 N N N 0 6.23 -4.192 3.377
112 H262 H H262 N N N 0 6.244 -2.566 4.1
113 H263 H H263 N N N 0 4.714 -3.272 3.528
114 H271 H H271 N N N 0 5.875 2.397 0.915
115 H272 H H272 N N N 0 6.837 2.454 -0.581
116 H273 H H273 N N N 0 6.221 0.897 0.022