 |
FGA : Summary
Code 
|
FGA
|
One-letter code
|
E
|
Molecule name
|
GAMMA-D-GLUTAMIC ACID
|
Synonyms
|
D-GLUTAMIC ACID
|
Systematic names
|
|
Formula
|
C5 H9 N O4
|
Formal charge
|
0
|
Molecular weight
|
147.129 Da
|
SMILES
|
| Type | Program | Version | Descriptor |
|---|
|
SMILES
|
ACDLabs |
12.01 |
O=C(O)C(N)CCC(=O)O |
|
SMILES
|
CACTVS |
3.370 |
N[CH](CCC(O)=O)C(O)=O |
|
SMILES
|
OpenEye OEToolkits |
1.7.2 |
C(CC(=O)O)C(C(=O)O)N |
|
Canonical SMILES
|
CACTVS |
3.370 |
N[C@H](CCC(O)=O)C(O)=O |
|
Canonical SMILES
|
OpenEye OEToolkits |
1.7.2 |
C(CC(=O)O)[C@H](C(=O)O)N |
|
IUPAC InChI | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 |
IUPAC InChI key | WHUUTDBJXJRKMK-GSVOUGTGSA-N |
|
wwPDB Information |
Atom count
|
19 (10 without Hydrogen)
|
Polymer type
|
Amino Acid
|
Type description
|
D-gamma-peptide, C-delta linking
|
Type code
|
ATOMP
|
Is modified
|
Yes
|
Standard parent
|
GLU
|
Defined at
|
1999-07-08
|
Last modified at
|
2023-11-03
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|
|
FGA : Atoms of Molecule
Total Number of Atoms: 19
| Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
| 1 |
N |
N |
N |
N |
N |
N |
0 |
-1.198 |
1.861 |
-0.122 |
| 2 |
CA |
C |
CA |
R |
N |
N |
0 |
-1.13 |
0.51 |
0.451 |
| 3 |
C |
C |
C |
N |
N |
N |
0 |
-2.352 |
-0.272 |
0.04 |
| 4 |
O |
O |
O |
N |
N |
N |
0 |
-2.999 |
0.079 |
-0.918 |
| 5 |
CB |
C |
CB |
N |
N |
N |
0 |
0.125 |
-0.199 |
-0.062 |
| 6 |
CG |
C |
CG |
N |
N |
N |
0 |
1.368 |
0.525 |
0.46 |
| 7 |
CD |
C |
CD |
N |
N |
N |
0 |
2.605 |
-0.173 |
-0.045 |
| 8 |
OXT |
O |
OXT |
N |
N |
N |
0 |
-2.72 |
-1.357 |
0.738 |
| 9 |
OE1 |
O |
OE1 |
N |
N |
N |
0 |
2.502 |
-1.149 |
-0.75 |
| 10 |
OE2 |
O |
OE2 |
N |
N |
Y |
0 |
3.82 |
0.29 |
0.289 |
| 11 |
H |
H |
H |
N |
N |
N |
0 |
-1.236 |
1.826 |
-1.129 |
| 12 |
H2 |
H |
HN2 |
N |
N |
Y |
0 |
-1.984 |
2.373 |
0.252 |
| 13 |
HA |
H |
HA |
N |
N |
N |
0 |
-1.091 |
0.577 |
1.538 |
| 14 |
HB2 |
H |
HB1 |
N |
N |
N |
0 |
0.13 |
-1.23 |
0.291 |
| 15 |
HB3 |
H |
HB2 |
N |
N |
N |
0 |
0.129 |
-0.188 |
-1.152 |
| 16 |
HG2 |
H |
HG1 |
N |
N |
N |
0 |
1.363 |
1.556 |
0.107 |
| 17 |
HG3 |
H |
HG2 |
N |
N |
N |
0 |
1.364 |
0.514 |
1.55 |
| 18 |
HE2 |
H |
HE2 |
N |
N |
Y |
0 |
4.583 |
-0.191 |
-0.059 |
| 19 |
HXT |
H |
HXT |
N |
N |
N |
0 |
-3.51 |
-1.826 |
0.436 |
FGA : Chemical Bonds
Total Number of Bonds: 18
| Record |
First Atom |
Second Atom |
First Element |
Second Element |
Bond Order Type |
Bond Length |
Bond Stereochemistry |
Is Aromatic |
| 1 |
N |
CA |
N |
C |
sing |
1.47 |
N |
N |
| 2 |
N |
H |
N |
H |
sing |
1.01 |
N |
N |
| 3 |
N |
H2 |
N |
H |
sing |
1.01 |
N |
N |
| 4 |
CA |
C |
C |
C |
sing |
1.51 |
N |
N |
| 5 |
CA |
CB |
C |
C |
sing |
1.53 |
N |
N |
| 6 |
CA |
HA |
C |
H |
sing |
1.09 |
N |
N |
| 7 |
C |
O |
C |
O |
doub |
1.21 |
N |
N |
| 8 |
C |
OXT |
C |
O |
sing |
1.34 |
N |
N |
| 9 |
CB |
CG |
C |
C |
sing |
1.53 |
N |
N |
| 10 |
CB |
HB2 |
C |
H |
sing |
1.09 |
N |
N |
| 11 |
CB |
HB3 |
C |
H |
sing |
1.09 |
N |
N |
| 12 |
CG |
CD |
C |
C |
sing |
1.51 |
N |
N |
| 13 |
CG |
HG2 |
C |
H |
sing |
1.09 |
N |
N |
| 14 |
CG |
HG3 |
C |
H |
sing |
1.09 |
N |
N |
| 15 |
CD |
OE1 |
C |
O |
doub |
1.21 |
N |
N |
| 16 |
CD |
OE2 |
C |
O |
sing |
1.34 |
N |
N |
| 17 |
OE2 |
HE2 |
O |
H |
sing |
0.97 |
N |
N |
| 18 |
OXT |
HXT |
O |
H |
sing |
0.97 |
N |
N |
FGA : Used in PDB Entries
Total Number of PDB Entries: 50
|
Protein Data Bank 
