Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PGV

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 128


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 P P P R N N 0 -5.093 -0.479 1.109
2 C01 C C01 N N N 0 -2.974 3.301 0.811
3 C02 C C02 R N N 0 -3.574 2.674 -0.448
4 C03 C C03 N N N 0 -4.601 1.612 -0.05
5 C04 C C04 N N N 0 -5.487 -2.577 2.297
6 C05 C C05 S N N 0 -4.928 -3.726 3.137
7 C06 C C06 N N N 0 -6.051 -4.712 3.465
8 O01 O O01 N N N 0 -2.519 2.058 -1.232
9 O02 O O02 N N N 0 -3.607 2.434 -3.118
10 O03 O O03 N N N 0 -2.323 2.272 1.601
11 O04 O O04 N N N 0 -1.724 3.738 3.142
12 O05 O O05 N N N 0 -4.381 -3.206 4.351
13 O06 O O06 N N N 0 -5.529 -5.785 4.25
14 O11 O O11 N N N 0 -3.96 0.598 0.727
15 O12 O O12 N N N 0 -4.437 -1.656 1.991
16 O13 O O13 N N N 0 -5.667 -1.052 -0.128
17 O14 O O14 N N N 0 -6.256 0.241 1.957
18 C1 C C1 N N N 0 -2.63 1.986 -2.568
19 C2 C C2 N N N 0 -1.534 1.346 -3.381
20 C3 C C3 N N N 0 -1.906 1.393 -4.865
21 C4 C C4 N N N 0 -0.794 0.744 -5.69
22 C5 C C5 N N N 0 -1.166 0.791 -7.174
23 C6 C C6 N N N 0 -0.054 0.142 -7.999
24 C7 C C7 N N N 0 -0.426 0.189 -9.483
25 C8 C C8 N N N 0 0.686 -0.459 -10.309
26 C9 C C9 N N N 0 0.314 -0.412 -11.792
27 C10 C C10 N N N 0 1.426 -1.061 -12.618
28 C11 C C11 N N N 0 1.06 -1.014 -14.079
29 C12 C C12 N N N 0 1.899 -0.509 -14.948
30 C13 C C13 N N N 0 3.289 -0.119 -14.516
31 C14 C C14 N N N 0 4.315 -0.789 -15.432
32 C15 C C15 N N N 0 5.726 -0.394 -14.993
33 C23 C C23 N N N 0 0.838 1.693 6.93
34 C16 C C16 N N N 0 6.752 -1.064 -15.909
35 C17 C C17 N N N 0 8.163 -0.668 -15.47
36 C18 C C18 N N N 0 9.189 -1.338 -16.386
37 C19 C C19 N N N 0 -1.723 2.592 2.758
38 C20 C C20 N N N 0 -1.047 1.524 3.578
39 C21 C C21 N N N 0 -0.447 2.151 4.838
40 C22 C C22 N N N 0 0.238 1.066 5.67
41 C24 C C24 N N N 0 1.524 0.608 7.763
42 C25 C C25 N N N 0 2.124 1.235 9.023
43 C26 C C26 N N N 0 2.81 0.15 9.855
44 C27 C C27 N N N 0 3.41 0.777 11.115
45 C28 C C28 N N N 0 4.096 -0.307 11.948
46 C29 C C29 N N N 0 4.697 0.319 13.208
47 C30 C C30 N N N 0 5.382 -0.765 14.04
48 C31 C C31 N N N 0 5.983 -0.138 15.3
49 C32 C C32 N N N 0 6.669 -1.223 16.133
50 C33 C C33 N N N 0 7.269 -0.596 17.393
51 C34 C C34 N N N 0 7.955 -1.681 18.225
52 H011 H 1H01 N N N 0 -3.767 3.764 1.399
53 H012 H 2H01 N N N 0 -2.243 4.058 0.527
54 H02 H H02 N N N 0 -4.063 3.447 -1.042
55 H031 H 1H03 N N N 0 -5.393 2.075 0.537
56 H032 H 2H03 N N N 0 -5.029 1.165 -0.948
57 H041 H 1H04 N N N 0 -6.268 -2.063 2.857
58 H042 H 2H04 N N N 0 -5.904 -2.973 1.371
59 H05 H H05 N N N 0 -4.146 -4.239 2.577
60 H061 H 1H06 N N N 0 -6.833 -4.198 4.025
61 H062 H 2H06 N N N 0 -6.468 -5.108 2.539
62 H1 H H1 N N N 0 -5.103 -2.762 4.815
63 H06 H H06 N N N 0 -6.268 -6.382 4.434
64 H14 H H14 N N N 0 -5.841 0.599 2.753
65 H21 H 1H2 N N N 0 -0.601 1.886 -3.223
66 H22 H 2H2 N N N 0 -1.41 0.308 -3.071
67 H31 H 1H3 N N N 0 -2.839 0.853 -5.023
68 H32 H 2H3 N N N 0 -2.03 2.431 -5.175
69 H41 H 1H4 N N N 0 0.138 1.284 -5.532
70 H42 H 2H4 N N N 0 -0.67 -0.293 -5.38
71 H51 H 1H5 N N N 0 -2.099 0.251 -7.332
72 H52 H 2H5 N N N 0 -1.29 1.829 -7.484
73 H61 H 1H6 N N N 0 0.879 0.682 -7.841
74 H62 H 2H6 N N N 0 0.069 -0.895 -7.689
75 H71 H 1H7 N N N 0 -1.359 -0.35 -9.641
76 H72 H 2H7 N N N 0 -0.55 1.227 -9.793
77 H81 H 1H8 N N N 0 1.619 0.08 -10.15
78 H82 H 2H8 N N N 0 0.81 -1.497 -9.998
79 H91 H 1H9 N N N 0 -0.619 -0.952 -11.95
80 H92 H 2H9 N N N 0 0.19 0.625 -12.102
81 H101 H 1H10 N N N 0 2.359 -0.521 -12.459
82 H102 H 2H10 N N N 0 1.55 -2.099 -12.307
83 H11 H H11 N N N 0 0.105 -1.397 -14.409
84 H12 H H12 N N N 0 1.595 -0.371 -15.976
85 H131 H 1H13 N N N 0 3.399 0.962 -14.578
86 H132 H 2H13 N N N 0 3.454 -0.443 -13.488
87 H141 H 1H14 N N N 0 4.205 -1.872 -15.37
88 H142 H 2H14 N N N 0 4.15 -0.466 -16.46
89 H151 H 1H15 N N N 0 5.836 0.688 -15.055
90 H152 H 2H15 N N N 0 5.891 -0.717 -13.965
91 H161 H 1H16 N N N 0 6.642 -2.146 -15.847
92 H162 H 2H16 N N N 0 6.587 -0.74 -16.937
93 H171 H 1H17 N N N 0 8.273 0.414 -15.532
94 H172 H 2H17 N N N 0 8.328 -0.992 -14.442
95 H181 H 1H18 N N N 0 10.194 -1.056 -16.073
96 H182 H 2H18 N N N 0 9.079 -2.421 -16.324
97 H183 H 3H18 N N N 0 9.024 -1.015 -17.414
98 H201 H 1H20 N N N 0 -0.255 1.061 2.989
99 H202 H 2H20 N N N 0 -1.779 0.767 3.862
100 H211 H 1H21 N N N 0 -1.239 2.614 5.426
101 H212 H 2H21 N N N 0 0.283 2.908 4.554
102 H221 H 1H22 N N N 0 1.03 0.603 5.082
103 H222 H 2H22 N N N 0 -0.493 0.309 5.954
104 H231 H 1H23 N N N 0 0.046 2.156 7.518
105 H232 H 2H23 N N N 0 1.569 2.45 6.646
106 H241 H 1H24 N N N 0 2.316 0.145 7.174
107 H242 H 2H24 N N N 0 0.793 -0.148 8.047
108 H251 H 1H25 N N N 0 1.332 1.698 9.611
109 H252 H 2H25 N N N 0 2.856 1.992 8.739
110 H261 H 1H26 N N N 0 3.602 -0.312 9.267
111 H262 H 2H26 N N N 0 2.079 -0.606 10.139
112 H271 H 1H27 N N N 0 2.618 1.24 11.703
113 H272 H 2H27 N N N 0 4.142 1.534 10.831
114 H281 H 1H28 N N N 0 4.889 -0.77 11.359
115 H282 H 2H28 N N N 0 3.365 -1.064 12.232
116 H291 H 1H29 N N N 0 3.904 0.782 13.796
117 H292 H 2H29 N N N 0 5.428 1.076 12.924
118 H301 H 1H30 N N N 0 6.175 -1.228 13.452
119 H302 H 2H30 N N N 0 4.651 -1.522 14.324
120 H311 H 1H31 N N N 0 5.19 0.324 15.888
121 H312 H 2H31 N N N 0 6.714 0.618 15.016
122 H321 H 1H32 N N N 0 7.461 -1.686 15.544
123 H322 H 2H32 N N N 0 5.937 -1.98 16.416
124 H331 H 1H33 N N N 0 6.477 -0.133 17.981
125 H332 H 2H33 N N N 0 8.0 0.16 17.109
126 H341 H 1H34 N N N 0 8.382 -1.235 19.123
127 H342 H 2H34 N N N 0 7.223 -2.438 18.509
128 H343 H 3H34 N N N 0 8.747 -2.144 17.637