Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : HKI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 71


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CAJ C CAJ N N N 0 -1.716 -4.729 -1.783
2 CAL C CAL N Y N 0 7.262 -0.657 2.365
3 CAK C CAK N Y N 0 8.439 -0.389 1.684
4 CAO C CAO N Y N 0 1.206 -1.496 -2.213
5 CAP C CAP N Y N 0 2.443 -1.303 -1.63
6 CAN C CAN N Y N 0 6.098 -0.831 1.63
7 CAS C CAS N Y N 0 -2.813 -0.08 -0.644
8 CAT C CAT N Y N 0 -4.954 -1.036 0.889
9 CAR C CAR N Y N 0 0.236 -1.843 -0.04
10 CAM C CAM N Y N 0 8.414 -0.303 0.304
11 CAQ C CAQ N Y N 0 -3.61 -4.142 -0.326
12 CBL C CBL N Y N 0 -2.519 -3.748 -1.116
13 CBR C CBR N Y N 0 -3.049 -1.46 -0.563
14 CBQ C CBQ N Y N 0 -4.13 -1.948 0.211
15 CBI C CBI N Y N 0 0.098 -1.763 -1.419
16 CBM C CBM N Y N 0 -3.625 0.789 0.029
17 CBP C CBP N Y N 0 -2.221 -2.382 -1.244
18 CBN C CBN N Y N 0 2.58 -1.377 -0.252
19 CBO C CBO N Y N 0 -4.695 0.313 0.803
20 CBJ C CBJ N Y N 0 1.473 -1.645 0.543
21 CBK C CBK N Y N 0 6.15 -0.725 0.253
22 CBH C CBH N N N 0 -2.148 2.622 -0.323
23 CAA C CAA N N N 0 -7.342 1.782 2.901
24 CAB C CAB N N N 0 1.478 7.484 -1.594
25 CAC C CAC N N N 0 2.085 5.704 -0.069
26 CAV C CAV N N N 0 4.892 -0.911 -0.556
27 CAX C CAX N N N 0 -1.904 4.102 -0.47
28 CBT C CBT N N N 0 -0.424 4.347 -0.772
29 CAY C CAY N N N 0 -0.177 5.85 -0.922
30 CAU C CAU N N N 0 -6.563 0.647 2.234
31 NAD N NAD N N N 0 -1.08 -5.507 -2.312
32 NBA N NBA N Y N 0 -4.36 -3.267 0.294
33 NAZ N NAZ N Y N 0 7.289 -0.474 -0.362
34 NBC N NBC N N N 0 -1.156 -1.953 -2.01
35 NBB N NBB N N N 0 -3.388 2.167 -0.053
36 NBU N NBU N N N 0 1.244 6.085 -1.212
37 OAG O OAG N N N 0 -1.229 1.84 -0.447
38 OBE O OBE N N N 0 3.797 -1.183 0.322
39 OBD O OBD N N N 0 -5.491 1.193 1.464
40 CLA CL CLA N N N 0 1.645 -1.737 2.268
41 H1 H H1 N N N 0 7.252 -0.734 3.442
42 H2 H H2 N N N 0 9.363 -0.248 2.224
43 H3 H H3 N N N 0 1.1 -1.434 -3.286
44 H4 H H4 N N N 0 3.304 -1.094 -2.247
45 H5 H H5 N N N 0 5.164 -1.045 2.127
46 H6 H H6 N N N 0 -1.989 0.295 -1.233
47 H7 H H7 N N N 0 -5.782 -1.392 1.483
48 H8 H H8 N N N 0 -0.625 -2.05 0.578
49 H9 H H9 N N N 0 9.328 -0.098 -0.234
50 H10 H H10 N N N 0 -3.838 -5.194 -0.229
51 H11 H H11 N N N 0 -8.16 1.365 3.489
52 H12 H H12 N N N 0 -6.676 2.345 3.555
53 H13 H H13 N N N 0 -7.746 2.444 2.135
54 H14 H H14 N N N 0 2.538 7.631 -1.804
55 H15 H H15 N N N 0 0.896 7.719 -2.486
56 H16 H H16 N N N 0 1.175 8.14 -0.779
57 H17 H H17 N N N 0 1.943 4.646 0.15
58 H18 H H18 N N N 0 3.132 5.889 -0.31
59 H19 H H19 N N N 0 1.803 6.296 0.803
60 H20 H H20 N N N 0 4.687 -0.003 -1.122
61 H21 H H21 N N N 0 5.022 -1.747 -1.243
62 H22 H H22 N N N 0 -2.511 4.49 -1.288
63 H23 H H23 N N N 0 -2.175 4.609 0.456
64 H24 H H24 N N N 0 0.183 3.958 0.045
65 H25 H H25 N N N 0 -0.154 3.84 -1.699
66 H26 H H26 N N N 0 -0.784 6.238 -1.739
67 H27 H H27 N N N 0 -0.447 6.356 0.005
68 H28 H H28 N N N 0 -6.16 -0.016 3.0
69 H29 H H29 N N N 0 -7.229 0.083 1.581
70 H30 H H30 N N N 0 -1.277 -1.783 -2.957
71 H31 H H31 N N N 0 -4.115 2.794 0.084