Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 8I9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 122


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C20 C C1 R N N 0 -6.499 2.774 -0.176
2 C21 C C2 N N N 0 -6.564 1.679 -1.243
3 C28 C C3 N N N 0 -4.243 -5.547 0.798
4 C02 C C4 N Y N 0 -1.115 6.708 2.324
5 C04 C C5 N Y N 0 -3.049 7.35 3.407
6 C06 C C6 N Y N 0 -3.239 5.674 1.846
7 C07 C C7 N Y N 0 -1.859 5.763 1.598
8 C09 C C8 N Y N 0 -2.649 4.214 0.303
9 C11 C C9 R N N 0 -5.097 4.231 0.912
10 C12 C C10 R N N 0 -5.889 5.129 -0.063
11 C14 C C11 S N N 0 -6.833 4.149 -0.795
12 C29 C C12 N N N 0 -3.853 -5.8 2.255
13 C30 C C13 N N N 0 -2.902 -4.698 2.727
14 C31 C C14 N N N 0 -5.109 -5.797 3.128
15 C32 C C15 R N N 0 -3.156 -7.157 2.369
16 C34 C C16 N N N 0 -2.0 -7.211 1.404
17 C36 C C17 N N N 0 0.163 -6.411 0.616
18 C37 C C18 N N N 0 1.26 -5.452 1.081
19 C38 C C19 N N N 0 2.373 -5.431 0.065
20 C40 C C20 N N N 0 4.536 -4.631 -0.723
21 C41 C C21 N N N 0 5.633 -3.672 -0.258
22 C43 C C22 N N N 0 8.032 -2.53 -0.734
23 C44 C C23 N N N 0 9.335 -2.17 -1.4
24 C45 C C24 N N N 0 10.089 -1.16 -0.533
25 C46 C C25 N N N 0 11.412 -0.795 -1.209
26 C47 C C26 N N N 0 12.167 0.214 -0.342
27 C48 C C27 N N N 0 13.489 0.58 -1.018
28 C49 C C28 N N N 0 14.244 1.589 -0.15
29 C50 C C29 N N N 0 15.567 1.955 -0.827
30 C51 C C30 N N N 0 16.321 2.964 0.041
31 C52 C C31 N N N 0 17.644 3.329 -0.636
32 C53 C C32 N N N 0 18.399 4.339 0.232
33 C54 C C33 N N N 0 19.722 4.705 -0.444
34 C55 C C34 N N N 0 20.476 5.714 0.423
35 N01 N N1 N N N 0 0.247 6.846 2.119
36 N03 N N2 N Y N 0 -1.75 7.471 3.208
37 N05 N N3 N Y N 0 -3.787 6.479 2.751
38 N35 N N6 N N N 0 -0.919 -6.431 1.604
39 N08 N N4 N Y N 0 -1.564 4.846 0.646
40 N10 N N5 N Y N 0 -3.71 4.688 1.015
41 N39 N N7 N N N 0 3.454 -4.651 0.265
42 O13 O O1 N N N 0 -6.643 6.107 0.656
43 O15 O O2 N N N 0 -8.198 4.491 -0.55
44 O17 O O3 N N N 0 -10.658 5.244 -1.094
45 O18 O O4 N N N 0 -8.74 5.805 -2.636
46 O19 O O5 N N N 0 -9.493 3.398 -2.56
47 O22 O O6 N N N 0 -6.368 0.404 -0.629
48 O24 O O7 N N N 0 -5.994 -2.194 -0.472
49 O26 O O8 N N N 0 -6.633 -4.622 -1.25
50 O27 O O9 N N N 0 -4.894 -4.279 0.692
51 O33 O O10 N N N 0 -4.085 -8.197 2.057
52 O56 O O11 N N N 0 7.735 -2.028 0.33
53 O57 O O12 N N N 0 2.296 -6.116 -0.933
54 O61 O O16 N N N 0 -5.38 -0.901 -2.551
55 O58 O O13 N N N 0 -2.042 -7.955 0.448
56 O59 O O14 N N N 0 -4.341 -3.661 -1.692
57 O60 O O15 N N N 0 -7.838 -1.226 -2.076
58 O62 O O17 N N N 0 -5.152 2.912 0.326
59 P16 P P1 N N N 0 -9.261 4.758 -1.73
60 P23 P P2 N N N 0 -6.373 -0.978 -1.456
61 P25 P P3 N N N 0 -5.441 -3.688 -0.702
62 S42 S S1 N N N 0 6.969 -3.647 -1.479
63 H201 H H1 N N N 0 -7.187 2.549 0.64
64 H212 H H2 N N N 0 -7.539 1.702 -1.729
65 H211 H H3 N N N 0 -5.784 1.849 -1.985
66 H282 H H4 N N N 0 -3.348 -5.549 0.176
67 H281 H H5 N N N 0 -4.921 -6.332 0.462
68 H041 H H6 N N N 0 -3.526 7.99 4.135
69 H091 H H7 N N N 0 -2.701 3.43 -0.438
70 H111 H H8 N N N 0 -5.57 4.229 1.895
71 H121 H H9 N N N 0 -5.215 5.611 -0.771
72 H141 H H10 N N N 0 -6.625 4.146 -1.865
73 H303 H H11 N N N 0 -3.433 -3.746 2.754
74 H301 H H12 N N N 0 -2.534 -4.937 3.724
75 H302 H H13 N N N 0 -2.061 -4.624 2.037
76 H313 H H14 N N N 0 -5.638 -4.852 3.0
77 H311 H H15 N N N 0 -5.76 -6.62 2.832
78 H312 H H16 N N N 0 -4.826 -5.916 4.174
79 H321 H H17 N N N 0 -2.788 -7.293 3.386
80 H361 H H18 N N N 0 -0.229 -6.076 -0.344
81 H362 H H19 N N N 0 0.577 -7.413 0.511
82 H372 H H20 N N N 0 0.846 -4.449 1.187
83 H371 H H21 N N N 0 1.652 -5.786 2.042
84 H401 H H22 N N N 0 4.144 -4.297 -1.684
85 H402 H H23 N N N 0 4.95 -5.634 -0.829
86 H412 H H24 N N N 0 5.219 -2.669 -0.153
87 H411 H H25 N N N 0 6.025 -4.006 0.702
88 H442 H H26 N N N 0 9.94 -3.068 -1.522
89 H441 H H27 N N N 0 9.134 -1.731 -2.378
90 H451 H H28 N N N 0 9.483 -0.262 -0.41
91 H452 H H29 N N N 0 10.29 -1.599 0.445
92 H462 H H30 N N N 0 12.018 -1.693 -1.331
93 H461 H H31 N N N 0 11.212 -0.356 -2.186
94 H471 H H32 N N N 0 11.561 1.112 -0.219
95 H472 H H33 N N N 0 12.367 -0.224 0.636
96 H481 H H34 N N N 0 14.095 -0.318 -1.14
97 H482 H H35 N N N 0 13.289 1.019 -1.995
98 H492 H H36 N N N 0 13.638 2.487 -0.028
99 H491 H H37 N N N 0 14.444 1.151 0.827
100 H501 H H38 N N N 0 16.172 1.057 -0.949
101 H502 H H39 N N N 0 15.366 2.394 -1.804
102 H512 H H40 N N N 0 15.716 3.862 0.163
103 H511 H H41 N N N 0 16.522 2.526 1.018
104 H521 H H42 N N N 0 18.25 2.431 -0.758
105 H542 H H46 N N N 0 20.327 3.806 -0.567
106 H522 H H43 N N N 0 17.444 3.768 -1.613
107 H532 H H44 N N N 0 17.793 5.237 0.354
108 H531 H H45 N N N 0 18.599 3.9 1.209
109 H541 H H47 N N N 0 19.521 5.143 -1.422
110 H552 H H48 N N N 0 20.677 5.275 1.4
111 H553 H H49 N N N 0 21.419 5.974 -0.059
112 H551 H H50 N N N 0 19.87 6.612 0.545
113 H011 H H51 N N N 0 0.698 6.287 1.467
114 H012 H H52 N N N 0 0.75 7.502 2.626
115 H351 H H53 N N N 0 -0.857 -5.883 2.402
116 H391 H H54 N N N 0 3.516 -4.103 1.063
117 H131 H H55 N N N 0 -6.102 6.712 1.183
118 H1 H H56 N N N 0 -11.347 5.423 -1.749
119 H2 H H57 N N N 0 -9.835 2.666 -2.028
120 H3 H H58 N N N 0 -7.389 -4.687 -0.651
121 H331 H H59 N N N 0 -4.455 -8.139 1.165
122 H4 H H60 N N N 0 -8.54 -1.287 -1.414