|
uncharged 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 |
9799 |
9942 |
|
|
| any polar X-H (X= N,O or S) |
2004 |
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 |
2451 |
9953 |
|
|
| methylene |
223 |
3325 |
|
|
| methyl |
377 |
4994 |
|
|
| any aromatic C-H |
401 |
3322 |
|
|
| substituted aromatic carbon |
67 |
1621 |
|
|
| phenyl |
56 |
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 |
1322 |
9974 |
|
|
| any uncharged NH |
138 |
* |
|
|
| any cationic NH |
13 |
* |
|
|
| aromatic cationic N-H |
3 |
* |
|
|
| amide NH |
5 |
1953 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
30 |
* |
|
|
| cationic RNH3 |
3 |
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 |
681 |
9985 |
|
|
| alcohol OH |
324 |
1854 |
|
|
| phenol OH |
11 |
896 |
|
|
| water |
179 |
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 |
1172 |
278 |
|
|
| cyano |
16 |
|
|
|
| pyramidal R3N |
|
* |
|
|
| uncharged planar R3N |
192 |
66 |
|
|
| cationic planar R3N |
3 |
|
|
|
|
| any terminal O |
284 |
4956 |
|
|
| any C=O |
253 |
4956 |
|
|
| amide C=O |
12 |
1988 |
|
|
| ester C=O |
39 |
2 |
|
|
| carboxylate |
10 |
2491 |
|
|
| aliphatic ether |
4 |
|
|
|
| linking O in esters |
18 |
|
|
|
| aromatic O |
|
|
|
|
| sulfoxide/sulfone O |
6 |
|
|
|
| nitro |
|
* |
|
|
* 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 |
28 |
1070 |
|
|
| any C=S |
8 |
|
|
|
| aliphatic thioether |
11 |
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 |
47 |
|
|
|
| any C-Cl |
27 |
|
|
|
| any C-Br |
4 |
|
|
|
| any C-I |
5 |
|
|
|
| chloride ion |
3 |
|
|
|
| bromide ion |
1 |
|
|
|
| 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 |
18 |
|
|
|
| potassium ion |
|
|
|
|
| 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 |
30 |
2494 |
|
|
| imidazole |
* |
1256 |
|
|
| guanidinium |
* |
1977 |
|
|
* This search has not been done.
|
|
