Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : AGH

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 159


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 -6.005 -4.745 -1.477
2 C2 C C2 S N N 0 -5.984 -3.215 -1.489
3 C3 C C3 S N N 0 -7.319 -2.682 -0.965
4 C4 C C4 R N N 0 -7.351 -1.159 -1.105
5 C5 C C5 N N N 0 -8.686 -0.626 -0.58
6 C6 C C6 N N N 0 -8.769 0.88 -0.834
7 O3 O O3 N N N 0 -8.389 -3.252 -1.72
8 C18 C C18 N N N 0 -17.277 13.115 0.79
9 C17 C C17 N N N 0 -17.194 11.609 1.044
10 C16 C C16 N N N 0 -15.859 11.076 0.52
11 C15 C C15 N N N 0 -15.776 9.569 0.773
12 C14 C C14 N N N 0 -14.441 9.037 0.249
13 C13 C C13 N N N 0 -14.358 7.53 0.503
14 C12 C C12 N N N 0 -13.023 6.998 -0.022
15 C11 C C11 N N N 0 -12.94 5.491 0.232
16 C10 C C10 N N N 0 -11.605 4.959 -0.293
17 C9 C C9 N N N 0 -11.522 3.452 -0.039
18 C8 C C8 N N N 0 -10.187 2.919 -0.563
19 C7 C C7 N N N 0 -10.104 1.413 -0.31
20 O4 O O4 N N N 0 -6.28 -0.589 -0.349
21 O1A O O1A N N N 0 -6.314 -5.206 -0.16
22 C1A C C1A S N N 0 -6.319 -6.634 -0.214
23 O6A O O6A N N N 0 -4.985 -7.106 -0.399
24 C5M C C5M R N N 0 -4.173 -6.509 0.61
25 C6A C C6A N N N 0 -2.703 -6.835 0.338
26 O5A O O5A N N N 0 -2.298 -6.221 -0.888
27 C4A C C4A R N N 0 -4.567 -7.055 1.984
28 O4A O O4A N N N 0 -4.411 -8.475 1.997
29 C3A C C3A S N N 0 -6.031 -6.695 2.263
30 O3A O O3A N N N 0 -6.457 -7.323 3.474
31 C2A C C2A R N N 0 -6.887 -7.19 1.094
32 O2A O O2A N N N 0 -8.232 -6.737 1.261
33 N2 N N2 N N N 0 -4.896 -2.734 -0.634
34 CAA C CAA N N N 0 -3.647 -2.627 -1.128
35 OAA O OAA N N N 0 -3.424 -2.928 -2.281
36 CAB C CAB N N N 0 -2.528 -2.133 -0.248
37 CAC C CAC N N N 0 -1.224 -2.106 -1.047
38 CAD C CAD N N N 0 -0.088 -1.604 -0.153
39 CAE C CAE N N N 0 1.216 -1.577 -0.953
40 CAF C CAF N N N 0 2.352 -1.075 -0.059
41 CAG C CAG N N N 0 3.656 -1.048 -0.859
42 CAH C CAH N N N 0 4.792 -0.546 0.035
43 CAI C CAI N N N 0 6.096 -0.519 -0.765
44 CAJ C CAJ N N N 0 7.232 -0.017 0.129
45 CAK C CAK N N N 0 8.536 0.01 -0.67
46 CAL C CAL N N N 0 9.672 0.511 0.223
47 CAM C CAM N N N 0 10.976 0.538 -0.576
48 CAN C CAN N N N 0 12.112 1.04 0.318
49 CAO C CAO N N N 0 13.416 1.067 -0.482
50 CAP C CAP N N N 0 14.552 1.569 0.412
51 CAQ C CAQ N N N 0 15.856 1.596 -0.388
52 CAR C CAR N N N 0 16.992 2.098 0.506
53 CAS C CAS N N N 0 18.296 2.125 -0.294
54 CAT C CAT N N N 0 19.432 2.627 0.6
55 CAU C CAU N N N 0 20.736 2.654 -0.199
56 CAV C CAV N N N 0 21.872 3.155 0.694
57 CAW C CAW N N N 0 23.176 3.183 -0.105
58 CAX C CAX N N N 0 24.312 3.684 0.789
59 CAY C CAY N N N 0 25.616 3.711 -0.011
60 CAZ C CAZ N N N 0 26.752 4.213 0.883
61 H11 H 1H1 N N N 0 -6.762 -5.103 -2.175
62 H12 H 2H1 N N N 0 -5.027 -5.124 -1.775
63 H2 H H2 N N N 0 -5.827 -2.862 -2.509
64 H5 H H5 N N N 0 -7.431 -2.953 0.085
65 H6 H H6 N N N 0 -7.239 -0.888 -2.155
66 H51 H 1H5 N N N 0 -9.505 -1.127 -1.096
67 H52 H 2H5 N N N 0 -8.758 -0.819 0.49
68 H61 H 1H6 N N N 0 -7.95 1.381 -0.318
69 H62 H 2H6 N N N 0 -8.696 1.073 -1.905
70 HO3 H HO3 N N N 0 -8.21 -3.057 -2.65
71 H181 H 1H18 N N N 0 -16.458 13.616 1.306
72 H182 H 2H18 N N N 0 -17.205 13.308 -0.28
73 H183 H 3H18 N N N 0 -18.229 13.495 1.164
74 H171 H 1H17 N N N 0 -18.013 11.107 0.528
75 H172 H 2H17 N N N 0 -17.267 11.416 2.115
76 H161 H 1H16 N N N 0 -15.04 11.577 1.035
77 H162 H 2H16 N N N 0 -15.787 11.269 -0.551
78 H151 H 1H15 N N N 0 -16.595 9.068 0.258
79 H152 H 2H15 N N N 0 -15.849 9.377 1.844
80 H141 H 1H14 N N N 0 -13.622 9.538 0.765
81 H142 H 2H14 N N N 0 -14.369 9.229 -0.821
82 H131 H 1H13 N N N 0 -15.177 7.029 -0.013
83 H132 H 2H13 N N N 0 -14.431 7.338 1.573
84 H121 H 1H12 N N N 0 -12.204 7.499 0.494
85 H122 H 2H12 N N N 0 -12.95 7.19 -1.092
86 H111 H 1H11 N N N 0 -13.759 4.99 -0.284
87 H112 H 2H11 N N N 0 -13.013 5.298 1.302
88 H101 H 1H10 N N N 0 -10.786 5.46 0.223
89 H102 H 2H10 N N N 0 -11.532 5.151 -1.363
90 H91 H 1H9 N N N 0 -12.341 2.951 -0.555
91 H92 H 2H9 N N N 0 -11.595 3.259 1.032
92 H81 H 1H8 N N N 0 -9.368 3.42 -0.048
93 H82 H 2H8 N N N 0 -10.114 3.112 -1.634
94 H71 H 1H7 N N N 0 -10.923 0.912 -0.825
95 H72 H 2H7 N N N 0 -10.177 1.22 0.761
96 HO4 H HO4 N N N 0 -6.417 -0.851 0.571
97 H1A H H1A N N N 0 -6.939 -6.964 -1.048
98 H5M H H5M N N N 0 -4.313 -5.428 0.596
99 H6A1 H 1H6A N N N 0 -2.089 -6.455 1.154
100 H6A2 H 2H6A N N N 0 -2.578 -7.915 0.261
101 H5A H H5A N N N 0 -1.368 -6.451 -1.021
102 H4A H H4A N N N 0 -3.93 -6.611 2.749
103 H1 H H1 N N N 0 -4.67 -8.777 2.879
104 H3A H H3A N N N 0 -6.13 -5.614 2.358
105 H3 H H3 N N N 0 -7.38 -7.071 3.61
106 H2A H H2A N N N 0 -6.87 -8.28 1.065
107 H4 H H4 N N N 0 -8.735 -7.071 0.505
108 HN2 H HN2 N N N 0 -5.075 -2.494 0.289
109 HAB1 H 1HAB N N N 0 -2.417 -2.8 0.607
110 HAB2 H 2HAB N N N 0 -2.76 -1.127 0.104
111 HAC1 H 1HAC N N N 0 -1.336 -1.438 -1.902
112 HAC2 H 2HAC N N N 0 -0.993 -3.111 -1.399
113 HAD1 H 1HAD N N N 0 0.023 -2.271 0.701
114 HAD2 H 2HAD N N N 0 -0.32 -0.598 0.198
115 HAE1 H 1HAE N N N 0 1.104 -0.909 -1.808
116 HAE2 H 2HAE N N N 0 1.447 -2.582 -1.305
117 HAF1 H 1HAF N N N 0 2.463 -1.742 0.795
118 HAG2 H 2HAG N N N 0 3.887 -2.053 -1.211
119 HAF2 H 2HAF N N N 0 2.12 -0.07 0.293
120 HAG1 H 1HAG N N N 0 3.544 -0.381 -1.713
121 HAH1 H 1HAH N N N 0 4.903 -1.214 0.89
122 HAH2 H 2HAH N N N 0 4.56 0.459 0.387
123 HAI1 H 1HAI N N N 0 5.984 0.148 -1.619
124 HAI2 H 2HAI N N N 0 6.327 -1.524 -1.116
125 HAJ1 H 1HAJ N N N 0 7.344 -0.685 0.984
126 HAJ2 H 2HAJ N N N 0 7.0 0.988 0.481
127 HAK1 H 1HAK N N N 0 8.424 0.677 -1.525
128 HAK2 H 2HAK N N N 0 8.768 -0.996 -1.022
129 HAL1 H 1HAL N N N 0 9.784 -0.156 1.078
130 HAL2 H 2HAL N N N 0 9.441 1.517 0.575
131 HAM1 H 1HAM N N N 0 10.864 1.206 -1.431
132 HAM2 H 2HAM N N N 0 11.208 -0.467 -0.928
133 HAN1 H 1HAN N N N 0 12.224 0.373 1.172
134 HAN2 H 2HAN N N N 0 11.881 2.046 0.669
135 HAO1 H 1HAO N N N 0 13.305 1.735 -1.337
136 HAO2 H 2HAO N N N 0 13.648 0.062 -0.834
137 HAP1 H 1HAP N N N 0 14.664 0.902 1.266
138 HAP2 H 2HAP N N N 0 14.321 2.574 0.764
139 HAQ1 H 1HAQ N N N 0 15.745 2.263 -1.242
140 HAQ2 H 2HAQ N N N 0 16.088 0.591 -0.74
141 HAR1 H 1HAR N N N 0 17.104 1.431 1.361
142 HAR2 H 2HAR N N N 0 16.761 3.103 0.858
143 HAS1 H 1HAS N N N 0 18.185 2.792 -1.148
144 HAS2 H 2HAS N N N 0 18.528 1.12 -0.645
145 HAT1 H 1HAT N N N 0 19.544 1.959 1.455
146 HAT2 H 2HAT N N N 0 19.201 3.632 0.952
147 HAU1 H 1HAU N N N 0 20.625 3.321 -1.054
148 HAU2 H 2HAU N N N 0 20.968 1.648 -0.551
149 HAV1 H 1HAV N N N 0 21.984 2.488 1.549
150 HAV2 H 2HAV N N N 0 21.641 4.161 1.046
151 HAW1 H 1HAW N N N 0 23.065 3.85 -0.96
152 HAW2 H 2HAW N N N 0 23.408 2.177 -0.457
153 HAX1 H 1HAX N N N 0 24.424 3.017 1.643
154 HAX2 H 2HAX N N N 0 24.081 4.69 1.14
155 HAY1 H 1HAY N N N 0 25.505 4.379 -0.866
156 HAY2 H 2HAY N N N 0 25.848 2.706 -0.363
157 HAZ1 H 1HAZ N N N 0 26.521 5.218 1.235
158 HAZ2 H 2HAZ N N N 0 26.864 3.546 1.737
159 HAZ3 H 3HAZ N N N 0 27.681 4.232 0.313