|
charged adenine
(PDB scatterplots for charged and uncharged adenine are identical, because the groups are indistinguishable in protein crystal structures; More Information)
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
General
|
 Links to statistical data |
 Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any C,N,O,S or H |
1541 |
9942 |
|
|
| any polar X-H (X= N,O or S) |
300 |
9939 |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
C,H only
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any alkyl C-H |
242 |
9953 |
|
|
| methylene |
12 |
3325 |
|
|
| methyl |
16 |
4994 |
|
|
| any aromatic C-H |
75 |
3322 |
|
|
| substituted aromatic carbon |
23 |
1621 |
|
|
| phenyl |
5 |
1426 |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
N-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any NH |
146 |
9974 |
|
|
| any uncharged NH |
11 |
* |
|
|
| any cationic NH |
26 |
* |
|
|
| aromatic cationic N-H |
26 |
* |
|
|
| amide NH |
1 |
1953 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
6 |
* |
|
|
| cationic RNH3 |
|
531 |
|
|
| cationic R3NH |
|
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
O-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any OH |
154 |
9985 |
|
|
| alcohol OH |
44 |
1854 |
|
|
| phenol OH |
4 |
896 |
|
|
| water |
48 |
9988 |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
Other N or O
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| aromatic or sp2 N |
108 |
278 |
|
|
| cyano |
1 |
|
|
|
| pyramidal R3N |
|
* |
|
|
| uncharged planar R3N |
15 |
66 |
|
|
| cationic planar R3N |
|
|
|
|
|
| any terminal O |
158 |
4956 |
|
|
| any C=O |
69 |
4956 |
|
|
| amide C=O |
7 |
1988 |
|
|
| ester C=O |
2 |
2 |
|
|
| carboxylate |
17 |
2491 |
|
|
| aliphatic ether |
3 |
|
|
|
| linking O in esters |
1 |
|
|
|
| aromatic O |
|
|
|
|
| sulfoxide/sulfone O |
4 |
|
|
|
| nitro |
6 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
Sulfur
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any S |
7 |
1070 |
|
|
| any C=S |
|
|
|
|
| aliphatic thioether |
1 |
717 |
|
|
| aromatic S |
|
|
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
Halo/Halide
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any C-F |
7 |
|
|
|
| any C-Cl |
|
|
|
|
| any C-Br |
|
|
|
|
| any C-I |
|
|
|
|
| chloride ion |
48 |
|
|
|
| bromide ion |
4 |
|
|
|
| iodide ion |
|
|
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/Halide|
Alkali Metal|
Amino acid
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
|
|
|
|
| sodium ion |
1 |
|
|
|
| potassium ion |
2 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
|
|
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
5 |
2494 |
|
|
| imidazole |
* |
1256 |
|
|
| guanidinium |
* |
1977 |
|
|
* This search has not been done.
|
|
