|
aliphatic dimethylamino
(PDB scatterplots include both charged and uncharged dimethylamino groups, 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 |
9873 |
1701 |
|
|
| any polar X-H (X= N,O or S) |
837 |
536 |
|
|
* 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 |
4994 |
236 |
|
|
| methylene |
1214 |
94 |
|
|
| methyl |
1997 |
68 |
|
|
| any aromatic C-H |
4994 |
353 |
|
|
| substituted aromatic carbon |
919 |
115 |
|
|
| phenyl |
978 |
76 |
|
|
* 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 |
268 |
75 |
|
|
| any uncharged NH |
199 |
* |
|
|
| any cationic NH |
17 |
* |
|
|
| aromatic cationic N-H |
|
* |
|
|
| amide NH |
38 |
18 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
14 |
* |
|
|
| cationic RNH3 |
4 |
2 |
|
|
| cationic R3NH |
7 |
* |
|
|
* 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 |
553 |
445 |
|
|
| alcohol OH |
168 |
46 |
|
|
| phenol OH |
97 |
58 |
|
|
| water |
120 |
341 |
|
|
* 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 |
153 |
1 |
|
|
| cyano |
86 |
|
|
|
| pyramidal R3N |
410 |
* |
|
|
| uncharged planar R3N |
43 |
|
|
|
| cationic planar R3N |
|
|
|
|
|
| any terminal O |
1120 |
419 |
|
|
| any C=O |
485 |
419 |
|
|
| amide C=O |
83 |
150 |
|
|
| ester C=O |
100 |
|
|
|
| carboxylate |
10 |
155 |
|
|
| aliphatic ether |
35 |
|
|
|
| linking O in esters |
41 |
|
|
|
| aromatic O |
9 |
|
|
|
| sulfoxide/sulfone O |
26 |
|
|
|
| nitro |
95 |
* |
|
|
* 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 |
319 |
39 |
|
|
| any C=S |
72 |
|
|
|
| aliphatic thioether |
12 |
21 |
|
|
| aromatic S |
17 |
|
|
|
* 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 |
486 |
|
|
|
| any C-Cl |
246 |
|
|
|
| any C-Br |
107 |
|
|
|
| any C-I |
48 |
|
|
|
| chloride ion |
41 |
|
|
|
| bromide ion |
10 |
|
|
|
| iodide ion |
40 |
|
|
|
* 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 |
31 |
|
|
|
| sodium ion |
21 |
|
|
|
| potassium ion |
46 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
1 |
|
|
|
* 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 |
9 |
77 |
|
|
| imidazole |
* |
6 |
|
|
| guanidinium |
* |
14 |
|
|
* This search has not been done.
|
|
