Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : 4TJ    

Bonds between two atoms of the molecule

Total Number of Bonds: 143


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 C1 N1 C N sing 1.47 N N
2 O2 C2 O C doub 1.22 N N
3 C2 N1 C N sing 1.34 N N
4 C2 N3 C N sing 1.35 N N
5 N1 C6 N C sing 1.35 N N
6 O6 C6 O C doub 1.22 N N
7 C6 C5 C C sing 1.41 N N
8 C3 N3 C N sing 1.46 N N
9 N3 C4 N C sing 1.39 N N
10 C5 C4 C C doub 1.39 N Y
11 C5 N7 C N sing 1.38 N Y
12 C4 N9 C N sing 1.34 N Y
13 N7 C8 N C sing 1.35 N Y
14 N9 C8 N C doub 1.31 N Y
15 C8 C14 C C sing 1.51 N N
16 C15 C14 C C sing 1.53 N N
17 C15 C17 C C sing 1.53 N N
18 C17 C18 C C sing 1.51 N N
19 O19 C18 O C doub 1.21 N N
20 C18 N20 C N sing 1.35 N N
21 N20 C21 N C sing 1.47 N N
22 C21 C22 C C sing 1.53 N N
23 C22 O23 C O sing 1.43 N N
24 O23 C24 O C sing 1.43 N N
25 C24 C25 C C sing 1.53 N N
26 C25 O26 C O sing 1.43 N N
27 O26 C27 O C sing 1.43 N N
28 C27 C28 C C sing 1.53 N N
29 C15 H1 C H sing 1.09 N N
30 C15 H2 C H sing 1.09 N N
31 C17 H3 C H sing 1.09 N N
32 C17 H4 C H sing 1.09 N N
33 C21 H5 C H sing 1.09 N N
34 C21 H6 C H sing 1.09 N N
35 C22 H7 C H sing 1.09 N N
36 C22 H8 C H sing 1.09 N N
37 C24 H9 C H sing 1.09 N N
38 C24 H10 C H sing 1.09 N N
39 C28 H11 C H sing 1.09 N N
40 C28 H12 C H sing 1.09 N N
41 C1 H14 C H sing 1.09 N N
42 C1 H15 C H sing 1.09 N N
43 C1 H16 C H sing 1.09 N N
44 N7 H17 N H sing 0.97 N N
45 C14 H18 C H sing 1.09 N N
46 C14 H19 C H sing 1.09 N N
47 N20 H20 N H sing 0.97 N N
48 C25 H21 C H sing 1.09 N N
49 C25 H22 C H sing 1.09 N N
50 C27 H23 C H sing 1.09 N N
51 C27 H24 C H sing 1.09 N N
52 C3 H26 C H sing 1.09 N N
53 C3 H27 C H sing 1.09 N N
54 C3 H28 C H sing 1.09 N N
55 C28 N2 C N sing 1.47 N N
56 N2 C7 N C sing 1.35 N N
57 C7 O1 C O doub 1.21 N N
58 C7 C9 C C sing 1.51 N N
59 C9 C10 C C sing 1.53 N N
60 C10 C11 C C sing 1.53 N N
61 C11 C12 C C sing 1.53 N N
62 C12 C13 C C sing 1.53 N N
63 C13 N4 C N sing 1.47 N N
64 N4 C16 N C sing 1.37 N N
65 N4 C19 N C sing 1.39 N N
66 C16 C20 C C sing 1.51 N N
67 C19 C26 C C doub 1.39 N Y
68 C20 C26 C C sing 1.51 N N
69 C16 C23 C C doub 1.35 N N
70 C23 C29 C C sing 1.41 N N
71 C29 C30 C C doub 1.36 N N
72 C30 C31 C C sing 1.4 N N
73 C31 C32 C C doub 1.37 N N
74 C20 C33 C C sing 1.53 N N
75 C20 C34 C C sing 1.53 N N
76 C32 C35 C C sing 1.4 N N
77 C35 N5 C N doub 1.31 N N
78 C35 C37 C C sing 1.52 N N
79 N5 C38 N C sing 1.36 N N
80 C37 C39 C C sing 1.51 N N
81 C37 C40 C C sing 1.53 N N
82 C37 C41 C C sing 1.53 N N
83 C39 C38 C C sing 1.4 N Y
84 N2 H13 N H sing 0.97 N N
85 C9 H25 C H sing 1.09 N N
86 C9 H29 C H sing 1.09 N N
87 C10 H30 C H sing 1.09 N N
88 C10 H31 C H sing 1.09 N N
89 C11 H32 C H sing 1.09 N N
90 C11 H33 C H sing 1.09 N N
91 C12 H34 C H sing 1.09 N N
92 C12 H35 C H sing 1.09 N N
93 C13 H36 C H sing 1.09 N N
94 C13 H37 C H sing 1.09 N N
95 C23 H42 C H sing 1.08 N N
96 C29 H43 C H sing 1.08 N N
97 C30 H44 C H sing 1.08 N N
98 C31 H45 C H sing 1.08 N N
99 C32 H46 C H sing 1.08 N N
100 C33 H47 C H sing 1.09 N N
101 C33 H48 C H sing 1.09 N N
102 C33 H49 C H sing 1.09 N N
103 C34 H50 C H sing 1.09 N N
104 C34 H51 C H sing 1.09 N N
105 C34 H52 C H sing 1.09 N N
106 C40 H57 C H sing 1.09 N N
107 C40 H58 C H sing 1.09 N N
108 C40 H59 C H sing 1.09 N N
109 C41 H60 C H sing 1.09 N N
110 C41 H61 C H sing 1.09 N N
111 C41 H62 C H sing 1.09 N N
112 N5 C36 N C sing 1.47 N N
113 C36 C42 C C sing 1.53 N N
114 C38 C43 C C doub 1.4 N Y
115 C43 C47 C C sing 1.38 N Y
116 C39 C45 C C doub 1.37 N Y
117 C45 C46 C C sing 1.39 N Y
118 C46 C47 C C doub 1.38 N Y
119 C46 S1 C S sing 1.76 N N
120 S1 O3 S O doub 1.45 N N
121 S1 O9 S O sing 1.45 N N
122 S1 O4 S O doub 1.45 N N
123 C19 C44 C C sing 1.39 N Y
124 C26 C48 C C sing 1.38 N Y
125 C44 C52 C C doub 1.38 N Y
126 C48 C51 C C doub 1.38 N Y
127 C51 C52 C C sing 1.38 N Y
128 C52 S2 C S sing 1.76 N N
129 S2 O8 S O sing 1.52 N N
130 S2 O7 S O doub 1.42 N N
131 S2 O5 S O doub 1.42 N N
132 C36 H38 C H sing 1.09 N N
133 C36 H39 C H sing 1.09 N N
134 C42 H40 C H sing 1.09 N N
135 C42 H41 C H sing 1.09 N N
136 C42 H53 C H sing 1.09 N N
137 C43 H54 C H sing 1.08 N N
138 C45 H55 C H sing 1.08 N N
139 C47 H56 C H sing 1.08 N N
140 C44 H66 C H sing 1.08 N N
141 C48 H67 C H sing 1.08 N N
142 C51 H68 C H sing 1.08 N N
143 O8 H69 O H sing 0.97 N N