 |
FS1 : Summary
Code 
|
FS1
|
One-letter code
|
X
|
Molecule name
|
IRON/SULFUR CLUSTER
|
Systematic names
|
|
Formula
|
Fe S
|
Formal charge
|
0
|
Molecular weight
|
87.91 Da
|
SMILES
|
| Type | Program | Version | Descriptor |
|---|
|
SMILES
|
ACDLabs |
10.04 |
[Fe]=S |
|
SMILES
|
CACTVS |
3.341 |
S=[Fe] |
|
SMILES
|
OpenEye OEToolkits |
1.5.0 |
S=[Fe] |
|
Canonical SMILES
|
CACTVS |
3.341 |
S=[Fe] |
|
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
S=[Fe] |
|
IUPAC InChI | InChI=1S/Fe.S |
IUPAC InChI key | MBMLMWLHJBBADN-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
2 (2 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2005-12-08
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|
|
FS1 : Atoms of Molecule
Total Number of Atoms: 2
| Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
| 1 |
FE |
FE |
FE |
N |
N |
N |
0 |
|
|
|
| 2 |
S1 |
S |
S1 |
N |
N |
N |
0 |
|
|
|
FS1 : Chemical Bonds
Total Number of Bonds: 1
| Record |
First Atom |
Second Atom |
First Element |
Second Element |
Bond Order Type |
Bond Length |
Bond Stereochemistry |
Is Aromatic |
| 1 |
FE |
S1 |
FE |
S |
doub |
|
N |
N |
FS1 : Used in PDB Entries
Total Number of PDB Entries: 0
| Ligand Code |
PDB Entry ID |
Type |
Total |
Distinct |
|
Protein Data Bank 
