Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : NAI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 73


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 PA P AP S N N 0 -0.83 0.715 0.782
2 O1A O AO1 N N N 0 -1.22 -0.283 1.803
3 O2A O AO2 N N N 0 -0.185 2.0 1.506
4 O5B O AO5* N N N 0 -2.131 1.165 -0.053
5 C5B C AC5* N N N 0 -3.094 1.623 0.898
6 C4B C AC4* R N N 0 -4.362 2.068 0.167
7 O4B O AO4* N N N 0 -4.998 0.933 -0.444
8 C3B C AC3* S N N 0 -5.361 2.672 1.172
9 O3B O AO3* N N N 0 -5.655 4.031 0.839
10 C2B C AC2* R N N 0 -6.628 1.79 1.019
11 O2B O AO2* N N N 0 -7.812 2.589 1.052
12 C1B C AC1* R N N 0 -6.422 1.166 -0.385
13 N9A N AN9 N Y N 0 -7.156 -0.096 -0.505
14 C8A C AC8 N Y N 0 -6.678 -1.339 -0.209
15 N7A N AN7 N Y N 0 -7.598 -2.233 -0.432
16 C5A C AC5 N Y N 0 -8.72 -1.623 -0.883
17 C6A C AC6 N Y N 0 -9.995 -2.064 -1.275
18 N6A N AN6 N N N 0 -10.319 -3.409 -1.244
19 N1A N AN1 N Y N 0 -10.883 -1.16 -1.676
20 C2A C AC2 N Y N 0 -10.583 0.125 -1.708
21 N3A N AN3 N Y N 0 -9.402 0.585 -1.35
22 C4A C AC4 N Y N 0 -8.452 -0.244 -0.93
23 O3 O O3 N N N 0 0.251 0.064 -0.219
24 PN P NP S N N 0 1.247 -0.822 0.684
25 O1N O NO1 N N N 0 0.555 -2.238 1.014
26 O2N O NO2 N N N 0 1.535 -0.107 1.948
27 O5D O NO5* N N N 0 2.621 -1.07 -0.117
28 C5D C NC5* N N N 0 3.501 -1.756 0.775
29 C4D C NC4* R N N 0 4.833 -2.024 0.072
30 O4D O NO4* N N N 0 5.518 -0.781 -0.198
31 C3D C NC3* S N N 0 5.787 -2.807 1.001
32 O3D O NO3* N N N 0 5.754 -4.201 0.692
33 C2D C NC2* R N N 0 7.183 -2.215 0.692
34 O2D O NO2* N N N 0 8.055 -3.228 0.185
35 C1D C NC1* R N N 0 6.904 -1.143 -0.385
36 N1N N NN1 N N N 0 7.768 0.022 -0.18
37 C2N C NC2 N N N 0 8.689 0.365 -1.129
38 C3N C NC3 N N N 0 9.234 1.595 -1.138
39 C7N C NC7 N N N 0 10.192 1.922 -2.126
40 O7N O NO7 N N N 0 10.515 1.093 -2.958
41 N7N N NN7 N N N 0 10.747 3.15 -2.147
42 C4N C NC4 N N N 0 8.85 2.627 -0.116
43 C5N C NC5 N N N 0 8.142 1.995 1.046
44 C6N C NC6 N N N 0 7.65 0.778 0.979
45 HOA2 H 2HOA N N N 0 0.055 2.624 0.807
46 H51A H AH51 N N N 0 -3.337 0.814 1.587
47 H52A H AH52 N N N 0 -2.682 2.464 1.457
48 H4B H AH4* N N N 0 -4.11 2.806 -0.595
49 H3B H AH3* N N N 0 -4.97 2.605 2.186
50 HO3A H AHO3 N N N 0 -6.329 4.332 1.465
51 H2B H AH2* N N N 0 -6.66 1.017 1.787
52 HO2A H AHO2 N N N 0 -7.883 2.946 1.948
53 H1B H AH1* N N N 0 -6.729 1.863 -1.164
54 H8A H AH8 N N N 0 -5.684 -1.55 0.155
55 H61A H AH61 N N N 0 -9.663 -4.06 -0.949
56 H62A H AH62 N N N 0 -11.203 -3.702 -1.517
57 H2A H AH2 N N N 0 -11.334 0.826 -2.041
58 HO1N H 1NHO N N N 0 0.384 -2.67 0.166
59 H51N H NH51 N N N 0 3.051 -2.703 1.074
60 H52N H NH52 N N N 0 3.674 -1.141 1.659
61 H4D H NH4* N N N 0 4.668 -2.575 -0.854
62 H3D H NH3* N N N 0 5.524 -2.641 2.045
63 HO3N H NHO3 N N N 0 6.366 -4.637 1.301
64 H2D H NH2* N N N 0 7.609 -1.757 1.584
65 HO2N H NHO2 N N N 0 8.141 -3.896 0.879
66 H1D H NH1* N N N 0 7.057 -1.557 -1.381
67 H2N H NH2 N N N 0 8.98 -0.356 -1.879
68 H71N H NH71 N N N 0 11.404 3.374 -2.825
69 H72N H NH72 N N N 0 10.486 3.811 -1.487
70 H4N H NH4 N N N 0 8.19 3.356 -0.584
71 H42N H 2NH4 N N N 0 9.746 3.134 0.244
72 H5N H NH5 N N N 0 8.037 2.554 1.964
73 H6N H NH6 N N N 0 7.146 0.359 1.838