Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Chemical Bonds

 Molecule : X8U    

Bonds between two atoms of the molecule

Total Number of Bonds: 72


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 O2 C20 O C sing 1.3469663 N N
2 C20 O1 C O doub 1.2153246 N N
3 C20 C19 C C sing 1.4722265 N N
4 C19 N4 C N sing 1.3258936 N Y
5 C19 C21 C C doub 1.362854 N Y
6 N4 C18 N C doub 1.2979537 N Y
7 C21 C22 C C sing 1.5068526 N N
8 C21 S2 C S sing 1.7111268 N Y
9 C22 C23 C C sing 1.5300251 N N
10 C23 C24 C C sing 1.5290474 N N
11 C24 C25 C C sing 1.529777 N N
12 C25 C26 C C sing 1.5068526 N N
13 C26 C31 C C sing 1.3832263 N Y
14 C26 C27 C C doub 1.3823289 N Y
15 C31 C30 C C doub 1.3822666 N Y
16 C30 C29 C C sing 1.3828069 N Y
17 C29 C28 C C doub 1.3822345 N Y
18 C28 C27 C C sing 1.3826561 N Y
19 S2 C18 S C sing 1.7595596 N Y
20 C18 C15 C C sing 1.4791014 N N
21 C15 C16 C C sing 1.3971267 N Y
22 C15 C14 C C doub 1.3920729 N Y
23 C16 C17 C C doub 1.3793168 N Y
24 C17 C12 C C sing 1.3847891 N Y
25 C12 C11 C C sing 1.5044501 N N
26 C12 C13 C C doub 1.3950237 N Y
27 C11 C10 C C sing 1.5271248 N N
28 C10 C9 C C sing 1.5346104 N N
29 C9 C8 C C sing 1.5147921 N N
30 C14 C13 C C sing 1.3945742 N Y
31 C13 C8 C C sing 1.4798092 N N
32 C8 N3 C N doub 1.2983344 E N
33 N3 N2 N N sing 1.4004549 N N
34 N2 C7 N C sing 1.3798387 N N
35 C7 S1 C S sing 1.7582483 N Y
36 C7 N1 C N doub 1.2898414 N Y
37 S1 C4 S C sing 1.7621473 N Y
38 C4 C3 C C sing 1.393022 N Y
39 C4 C5 C C doub 1.39803 N Y
40 C3 C2 C C doub 1.3776567 N Y
41 C2 C1 C C sing 1.386793 N Y
42 N1 C5 N C sing 1.3477348 N Y
43 C5 C6 C C sing 1.4111825 N Y
44 C6 C1 C C doub 1.3714623 N Y
45 O2 H2 O H sing 0.96711373 N N
46 C22 H221 C H sing 1.0895035 N N
47 C22 H222 C H sing 1.0899276 N N
48 C23 H231 C H sing 1.0903944 N N
49 C23 H232 C H sing 1.0905907 N N
50 C24 H241 C H sing 1.0907658 N N
51 C24 H242 C H sing 1.089186 N N
52 C25 H251 C H sing 1.0906814 N N
53 C25 H252 C H sing 1.0905526 N N
54 C31 H31 C H sing 1.0799162 N N
55 C27 H27 C H sing 1.0801685 N N
56 C30 H30 C H sing 1.0793684 N N
57 C29 H29 C H sing 1.0795175 N N
58 C28 H28 C H sing 1.0798986 N N
59 C16 H16 C H sing 1.0805675 N N
60 C14 H14 C H sing 1.0803277 N N
61 C17 H17 C H sing 1.0798875 N N
62 C11 H111 C H sing 1.0895008 N N
63 C11 H112 C H sing 1.0896945 N N
64 C10 H101 C H sing 1.0902632 N N
65 C10 H102 C H sing 1.0895765 N N
66 C9 H91C C H sing 1.0902009 N N
67 C9 H92C C H sing 1.089571 N N
68 N2 HA N H sing 0.9705179 N N
69 C3 H3 C H sing 1.0800542 N N
70 C2 HB C H sing 1.0797472 N N
71 C1 H1 C H sing 1.0802319 N N
72 C6 H6 C H sing 1.0795035 N N