Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CAA

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 94


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1A N AN1 N Y N 0 5.008 1.106 -11.415
2 C2A C AC2 N Y N 0 4.072 2.03 -11.301
3 N3A N AN3 N Y N 0 3.1 1.946 -10.417
4 C4A C AC4 N Y N 0 3.02 0.905 -9.595
5 C5A C AC5 N Y N 0 3.997 -0.102 -9.672
6 C6A C AC6 N Y N 0 5.014 0.032 -10.632
7 N6A N AN6 N N N 0 6.0 -0.93 -10.759
8 N7A N AN7 N Y N 0 3.69 -1.028 -8.733
9 C8A C AC8 N Y N 0 2.616 -0.66 -8.096
10 N9A N AN9 N Y N 0 2.167 0.528 -8.588
11 C1B C AC1* R N N 0 0.986 1.265 -8.131
12 C2B C AC2* R N N 0 -0.289 0.756 -8.847
13 O2B O AO2* N N N 0 -0.475 1.425 -10.096
14 C3B C AC3* S N N 0 -1.404 1.144 -7.841
15 O3B O AO3* N N N 0 -2.023 2.372 -8.229
16 P3B P AP3* N N N 0 -3.589 2.06 -8.431
17 O7A O AO7 N N N 0 -4.161 1.563 -7.16
18 O8A O AO8 N N N 0 -4.352 3.408 -8.872
19 O9A O AO9 N N N 0 -3.771 0.942 -9.575
20 C4B C AC4* R N N 0 -0.658 1.308 -6.502
21 O4B O AO4* N N N 0 0.724 0.991 -6.739
22 C5B C AC5* N N N 0 -1.24 0.349 -5.462
23 O5B O AO5* N N N 0 -0.538 0.503 -4.227
24 P1A P AP1 R N N 0 -1.199 -0.529 -3.184
25 O1A O AO1 N N N 0 -2.634 -0.209 -3.015
26 O2A O AO2 N N N 0 -1.047 -2.031 -3.745
27 O3A O AO3 N N N 0 -0.452 -0.409 -1.762
28 P2A P AP2 S N N 0 -1.16 -1.464 -0.774
29 O4A O AO4 N N N 0 -2.596 -1.129 -0.642
30 O5A O AO5 N N N 0 -1.009 -2.949 -1.375
31 O6A O AO6 N N N 0 -0.459 -1.397 0.673
32 CBP C PC11 N N N 0 -0.507 -2.337 2.899
33 CCP C PC12 N N N 0 -1.128 -2.35 1.501
34 CDP C PC13 N N N 0 -0.652 -0.942 3.509
35 CEP C PC14 N N N 0 0.976 -2.699 2.801
36 CAP C PC10 R N N 0 -1.224 -3.358 3.785
37 OAP O PO10 N N N 0 -1.188 -4.642 3.158
38 C9P C PC9 N N N 0 -0.534 -3.433 5.123
39 O9P O PO9 N N N 0 0.158 -4.39 5.395
40 N8P N PN8 N N N 0 -0.688 -2.437 6.017
41 C7P C PC7 N N N 0 -0.002 -2.5 7.31
42 C6P C PC6 N N N 0 -0.344 -1.254 8.131
43 C5P C PC5 N N N 0 0.361 -1.32 9.461
44 O5P O PO5 N N N 0 1.067 -2.269 9.726
45 N4P N PN4 N N N 0 0.207 -0.323 10.355
46 C3P C PC3 N N N 0 0.893 -0.387 11.648
47 C2P C PC2 N N N 0 0.551 0.858 12.468
48 S1P S PS1 N N N 0 1.398 0.779 14.066
49 C1 C C1 N N N 0 0.86 2.248 14.76
50 O1 O O1 N N N 0 0.111 2.974 14.14
51 C2 C C2 N N N 0 1.315 2.64 16.142
52 C3 C C3 N N N 0 0.703 3.965 16.517
53 O3 O O3 N N N 0 -0.027 4.533 15.741
54 C4 C C4 N N N 0 1.003 4.581 17.859
55 H2A H AH2 N N N 0 4.105 2.887 -11.957
56 H61A H AH61 N N N 0 6.697 -0.826 -11.425
57 H62A H AH62 N N N 0 5.993 -1.71 -10.182
58 H8A H AH8 N N N 0 2.15 -1.214 -7.295
59 H1B H AH1* N N N 0 1.117 2.335 -8.294
60 H2B H AH2* N N N 0 -0.251 -0.324 -8.989
61 HO2A H AHO2 N N N 0 0.294 1.217 -10.642
62 H3B H AH3* N N N 0 -2.147 0.35 -7.768
63 HOA8 H 8HOA N N N 0 -5.285 3.178 -8.982
64 HOA9 H 9HOA N N N 0 -3.386 1.305 -10.384
65 H4B H AH4* N N N 0 -0.748 2.335 -6.151
66 H51A H AH51 N N N 0 -1.135 -0.676 -5.814
67 H52A H AH52 N N N 0 -2.295 0.575 -5.31
68 HOA2 H 2HOA N N N 0 -0.099 -2.198 -3.84
69 HOA5 H 5HOA N N N 0 -0.061 -3.127 -1.445
70 H121 H 1H12 N N N 0 -1.025 -3.345 1.066
71 H122 H 2H12 N N N 0 -2.185 -2.092 1.571
72 H131 H 1H13 N N N 0 -1.705 -0.736 3.7
73 H132 H 2H13 N N N 0 -0.097 -0.895 4.445
74 H133 H 3H13 N N N 0 -0.257 -0.199 2.815
75 H141 H 1H14 N N N 0 1.079 -3.694 2.367
76 H142 H 2H14 N N N 0 1.486 -1.972 2.17
77 H143 H 3H14 N N N 0 1.418 -2.69 3.797
78 H10 H H10 N N N 0 -2.26 -3.052 3.927
79 HO1 H HO1 N N N 0 -0.255 -4.874 3.051
80 HN8 H HN8 N N N 0 -1.253 -1.677 5.805
81 H71 H 1H7 N N N 0 1.074 -2.545 7.149
82 H72 H 2H7 N N N 0 -0.326 -3.39 7.85
83 H61 H 1H6 N N N 0 -1.421 -1.21 8.292
84 H62 H 2H6 N N N 0 -0.02 -0.364 7.591
85 HN4 H HN4 N N N 0 -0.357 0.435 10.142
86 H31 H 1H3 N N N 0 1.97 -0.432 11.486
87 H32 H 2H3 N N N 0 0.569 -1.277 12.187
88 H21 H 1H2 N N N 0 -0.525 0.903 12.63
89 H22 H 2H2 N N N 0 0.875 1.748 11.929
90 H2'1 H 1H2' N N N 0 2.402 2.725 16.156
91 H2'2 H 2H2' N N N 0 1.001 1.879 16.858
92 H4'1 H 1H4' N N N 0 0.475 5.531 17.949
93 H4'3 H 3H4' N N N 0 2.075 4.752 17.949
94 H4'2 H 2H4' N N N 0 0.675 3.907 18.65