Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PHO

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 138


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CHA C CHA N Y N 0 4.338 1.645 0.645
2 CHB C CHB N Y N 0 5.168 -3.03 1.244
3 CHC C CHC N Y N 0 9.635 -2.222 -0.645
4 CHD C CHD N Y N 0 8.829 2.529 -1.265
5 NA N N A N Y N 0 4.915 -0.668 0.849
6 C1A C C1A N Y N 0 4.058 0.329 0.969
7 C2A C C2A S N N 0 2.747 -0.199 1.504
8 C3A C C3A S N N 0 3.015 -1.711 1.657
9 C4A C C4A N Y N 0 4.467 -1.847 1.229
10 CMA C CMA N N N 0 2.836 -2.147 3.113
11 CAA C CAA N N N 0 1.615 0.051 0.505
12 CBA C CBA N N N 0 0.282 -0.361 1.132
13 CGA C CGA N N N 0 -0.818 -0.22 0.112
14 O1A O O1A N N N 0 -0.561 0.17 -1.003
15 O2A O O2A N N N 0 -2.082 -0.527 0.441
16 NB N N B N Y N 0 7.317 -2.194 0.279
17 C1B C C1B N Y N 0 6.493 -3.153 0.817
18 C2B C C2B N Y N 0 7.212 -4.356 0.902
19 C3B C C3B N Y N 0 8.473 -4.135 0.382
20 C4B C C4B N Y N 0 8.527 -2.773 -0.04
21 CMB C CMB N N N 0 6.699 -5.657 1.464
22 CAB C CAB N N N 0 9.561 -5.124 0.28
23 CBB C CBB N N N 0 10.199 -5.295 -0.873
24 NC N N C N Y N 0 8.899 0.118 -0.846
25 C1C C C1C N Y N 0 9.748 -0.885 -1.057
26 C2C C C2C N Y N 0 10.852 -0.383 -1.808
27 C3C C C3C N Y N 0 10.641 0.944 -1.978
28 C4C C C4C N Y N 0 9.412 1.251 -1.342
29 CMC C CMC N N N 0 12.028 -1.177 -2.314
30 CAC C CAC N N N 0 11.541 1.909 -2.705
31 CBC C CBC N N N 0 11.065 2.061 -4.151
32 ND N N D N Y N 0 6.778 1.593 -0.291
33 C1D C C1D N Y N 0 7.543 2.653 -0.748
34 C2D C C2D N Y N 0 6.806 3.826 -0.598
35 C3D C C3D N Y N 0 5.562 3.479 -0.062
36 C4D C C4D N Y N 0 5.557 2.078 0.116
37 CMD C CMD N N N 0 7.266 5.217 -0.95
38 CAD C CAD N N N 0 4.277 4.028 0.38
39 OBD O OBD N N N 0 3.954 5.197 0.409
40 CBD C CBD R N N 0 3.433 2.839 0.794
41 CGD C CGD N N N 0 2.99 2.985 2.227
42 O1D O O1D N N N 0 3.368 2.196 3.059
43 O2D O O2D N N N 0 2.174 3.992 2.577
44 CED C CED N N N 0 1.788 4.071 3.975
45 C1 C C1 N N N 0 -3.09 -0.367 -0.592
46 C2 C C2 N N N 0 -4.438 -0.756 -0.044
47 C3 C C3 N N N 0 -5.246 -1.501 -0.758
48 C4 C C4 N N N 0 -4.874 -1.877 -2.169
49 C5 C C5 N N N 0 -6.546 -1.982 -0.167
50 C6 C C6 N N N 0 -7.671 -1.024 -0.563
51 C7 C C7 N N N 0 -8.992 -1.512 0.036
52 C8 C C8 R N N 0 -10.117 -0.554 -0.359
53 C9 C C9 N N N 0 -9.866 0.816 0.275
54 C10 C C10 N N N 0 -11.455 -1.107 0.134
55 C11 C C11 N N N 0 -12.592 -0.215 -0.368
56 C12 C C12 N N N 0 -13.931 -0.768 0.125
57 C13 C C13 R N N 0 -15.067 0.124 -0.377
58 C14 C C14 N N N 0 -14.945 1.511 0.257
59 C15 C C15 N N N 0 -16.412 -0.496 0.01
60 C16 C C16 N N N 0 -17.548 0.329 -0.598
61 C17 C C17 N N N 0 -18.892 -0.292 -0.212
62 C18 C C18 N N N 0 -20.028 0.533 -0.82
63 C19 C C19 N N N 0 -19.964 0.442 -2.346
64 C20 C C20 N N N 0 -21.372 -0.013 -0.332
65 HHB H HHB N N N 0 4.662 -3.924 1.61
66 HHC H HHC N N N 0 10.493 -2.879 -0.816
67 HHD H HHD N N N 0 9.37 3.398 -1.599
68 H2A H H2A N N N 0 2.515 0.251 2.469
69 H3A H H3A N N N 0 2.364 -2.287 1.0
70 HMA1 H HMA1 N N N 0 1.816 -1.936 3.433
71 HMA2 H HMA2 N N N 0 3.03 -3.217 3.198
72 HMA3 H HMA3 N N N 0 3.536 -1.6 3.744
73 HAA1 H HAA1 N N N 0 1.585 1.11 0.249
74 HAA2 H HAA2 N N N 0 1.79 -0.536 -0.396
75 HBA1 H HBA1 N N N 0 0.34 -1.398 1.462
76 HBA2 H HBA2 N N N 0 0.069 0.282 1.987
77 HMB1 H HMB1 N N N 0 6.236 -6.239 0.666
78 HMB2 H HMB2 N N N 0 7.528 -6.22 1.891
79 HMB3 H HMB3 N N N 0 5.96 -5.452 2.239
80 HAB H HAB N N N 0 9.84 -5.711 1.143
81 HBB1 H HBB1 N N N 0 9.921 -4.708 -1.736
82 HBB2 H HBB2 N N N 0 10.996 -6.02 -0.947
83 HMC1 H HMC1 N N N 0 11.917 -2.22 -2.019
84 HMC2 H HMC2 N N N 0 12.072 -1.109 -3.401
85 HMC3 H HMC3 N N N 0 12.948 -0.775 -1.888
86 HAC1 H HAC1 N N N 0 11.509 2.879 -2.209
87 HAC2 H HAC2 N N N 0 12.563 1.53 -2.697
88 HBC1 H HBC1 N N N 0 11.096 1.091 -4.648
89 HBC2 H HBC2 N N N 0 10.043 2.44 -4.16
90 HBC3 H HBC3 N N N 0 11.716 2.759 -4.677
91 HMD1 H HMD1 N N N 0 8.28 5.175 -1.348
92 HMD2 H HMD2 N N N 0 6.598 5.642 -1.7
93 HMD3 H HMD3 N N N 0 7.252 5.841 -0.056
94 HBD H HBD N N N 0 2.568 2.743 0.138
95 HED1 H HED1 N N N 0 1.129 4.927 4.122
96 HED2 H HED2 N N N 0 1.265 3.158 4.259
97 HED3 H HED3 N N N 0 2.678 4.187 4.592
98 H11 H H11 N N N 0 -3.116 0.674 -0.916
99 H12 H H12 N N N 0 -2.845 -1.006 -1.441
100 H2 H H2 N N N 0 -4.739 -0.422 0.938
101 H41 H H41 N N N 0 -4.338 -2.826 -2.163
102 H42 H H42 N N N 0 -5.779 -1.974 -2.769
103 H43 H H43 N N N 0 -4.236 -1.102 -2.595
104 H51 H H51 N N N 0 -6.769 -2.98 -0.545
105 H52 H H52 N N N 0 -6.462 -2.015 0.919
106 H61 H H61 N N N 0 -7.448 -0.026 -0.185
107 H62 H H62 N N N 0 -7.755 -0.991 -1.649
108 H71 H H71 N N N 0 -9.215 -2.51 -0.341
109 H72 H H72 N N N 0 -8.908 -1.545 1.123
110 H8 H H8 N N N 0 -10.143 -0.452 -1.444
111 H91 H H91 N N N 0 -8.913 1.21 -0.076
112 H92 H H92 N N N 0 -10.668 1.499 -0.006
113 H93 H H93 N N N 0 -9.84 0.714 1.36
114 H101 H H101 N N N 0 -11.592 -2.119 -0.247
115 H102 H H102 N N N 0 -11.462 -1.125 1.224
116 H111 H H111 N N N 0 -12.455 0.797 0.013
117 H112 H H112 N N N 0 -12.586 -0.197 -1.458
118 H121 H H121 N N N 0 -14.068 -1.78 -0.256
119 H122 H H122 N N N 0 -13.937 -0.786 1.215
120 H13 H H13 N N N 0 -15.007 0.214 -1.461
121 H141 H H141 N N N 0 -13.987 1.953 -0.018
122 H142 H H142 N N N 0 -15.755 2.147 -0.1
123 H143 H H143 N N N 0 -15.005 1.421 1.342
124 H151 H H151 N N N 0 -16.462 -1.518 -0.367
125 H152 H H152 N N N 0 -16.509 -0.504 1.095
126 H161 H H161 N N N 0 -17.497 1.35 -0.221
127 H162 H H162 N N N 0 -17.45 0.337 -1.684
128 H171 H H171 N N N 0 -18.942 -1.313 -0.589
129 H172 H H172 N N N 0 -18.989 -0.3 0.874
130 H18 H H18 N N N 0 -19.926 1.574 -0.513
131 H191 H H191 N N N 0 -20.066 -0.599 -2.652
132 H192 H H192 N N N 0 -20.774 1.03 -2.779
133 H193 H H193 N N N 0 -19.007 0.831 -2.693
134 H201 H H201 N N N 0 -21.417 0.052 0.755
135 H202 H H202 N N N 0 -22.181 0.575 -0.765
136 H203 H H203 N N N 0 -21.474 -1.054 -0.639
137 HNB H HNB N N N 0 7.085 -1.262 0.145
138 HND H HND N N N 0 7.056 0.664 -0.264