Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : 1AQ    

Bonds between two atoms of the molecule

Total Number of Bonds: 92


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 N40 C41 N C sing 1.4691726 N N
2 N40 C37 N C sing 1.4688339 N N
3 C39 C37 C C sing 1.5299562 N N
4 O36 C35 O C doub 1.2128174 N N
5 C37 C35 C C sing 1.5069062 N N
6 C35 N34 C N sing 1.3474873 N N
7 N34 C32 N C sing 1.4644146 N N
8 C49 C48 C C sing 1.5294156 N N
9 C49 C42 C C sing 1.5303346 N N
10 C32 C42 C C sing 1.5302895 N N
11 C32 C30 C C sing 1.5068885 N N
12 C48 C45 C C sing 1.5304735 N N
13 C9 C7 C C sing 1.5268114 N N
14 C9 N10 C N sing 1.4766388 N N
15 C7 C6 C C sing 1.5396168 N N
16 C7 N14 C N sing 1.487546 N N
17 C42 C43 C C sing 1.5299065 N N
18 C30 N10 C N sing 1.3482362 N N
19 C30 O31 C O doub 1.2128005 N N
20 C6 C4 C C sing 1.5532135 N N
21 N10 C11 N C sing 1.468551 N N
22 C4 C15 C C sing 1.5478146 N N
23 C4 O3 C O sing 1.429233 N N
24 F47 C45 F C sing 1.3987155 N N
25 C13 C11 C C sing 1.5374047 N N
26 C13 N14 C N sing 1.4564406 N N
27 C45 F46 C F sing 1.3986833 N N
28 C45 C44 C C sing 1.5301206 N N
29 C11 C16 C C sing 1.5065687 N N
30 N14 C15 N C sing 1.4636669 N N
31 C43 C44 C C sing 1.5294156 N N
32 C2 C1 C C sing 1.5302751 N N
33 C2 O3 C O sing 1.4284121 N N
34 C16 O17 C O doub 1.2124772 N N
35 C16 N18 C N sing 1.3483523 N N
36 N18 C19 N C sing 1.4650013 N N
37 C28 C27 C C doub 1.3816302 N Y
38 C28 C29 C C sing 1.3850199 N Y
39 C19 C29 C C sing 1.507559 N N
40 C19 C21 C C sing 1.5304267 N N
41 C27 C26 C C sing 1.3835754 N Y
42 C29 C24 C C doub 1.3836329 N Y
43 C21 C22 C C sing 1.5340893 N N
44 C26 C25 C C doub 1.3794745 N Y
45 C24 C25 C C sing 1.3919759 N Y
46 C24 O23 C O sing 1.3584921 N N
47 C22 O23 C O sing 1.4277966 N N
48 C1 H1 C H sing 1.090151 N N
49 C1 H2 C H sing 1.0894008 N N
50 C1 H3 C H sing 1.0905205 N N
51 C2 H4 C H sing 1.0908093 N N
52 C2 H5 C H sing 1.0900046 N N
53 C4 H6 C H sing 1.090073 N N
54 C6 H7 C H sing 1.0898991 N N
55 C6 H8 C H sing 1.090184 N N
56 C7 H9 C H sing 1.0894444 N N
57 C9 H10 C H sing 1.0898519 N N
58 C9 H11 C H sing 1.0897734 N N
59 C11 H12 C H sing 1.0909564 N N
60 C13 H13 C H sing 1.0899417 N N
61 C13 H14 C H sing 1.0899165 N N
62 C15 H16 C H sing 1.0898308 N N
63 C15 H17 C H sing 1.0896853 N N
64 N18 H18 N H sing 0.9702355 N N
65 C19 H19 C H sing 1.0899184 N N
66 C21 H20 C H sing 1.0893645 N N
67 C21 H21 C H sing 1.0902687 N N
68 C22 H22 C H sing 1.0901967 N N
69 C22 H23 C H sing 1.0899165 N N
70 C25 H24 C H sing 1.0796856 N N
71 C26 H25 C H sing 1.0799121 N N
72 C27 H26 C H sing 1.0789787 N N
73 C28 H27 C H sing 1.0800787 N N
74 C32 H28 C H sing 1.0898762 N N
75 N34 H29 N H sing 0.9697845 N N
76 C37 H30 C H sing 1.0902193 N N
77 C39 H31 C H sing 1.0898013 N N
78 C39 H32 C H sing 1.0899591 N N
79 C39 H33 C H sing 1.0903417 N N
80 N40 H34 N H sing 1.0086877 N N
81 C41 H36 C H sing 1.0903252 N N
82 C41 H37 C H sing 1.0900877 N N
83 C41 H38 C H sing 1.089722 N N
84 C42 H39 C H sing 1.089191 N N
85 C43 H40 C H sing 1.0897435 N N
86 C43 H41 C H sing 1.0905306 N N
87 C44 H42 C H sing 1.0905306 N N
88 C44 H43 C H sing 1.0898551 N N
89 C48 H44 C H sing 1.0905306 N N
90 C48 H45 C H sing 1.0907199 N N
91 C49 H46 C H sing 1.0905306 N N
92 C49 H47 C H sing 1.0898551 N N