Chemical Components in the PDB

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0KA : Summary

Code

0KA

One-letter code

X

Molecule name

SILVER/IRON/SULFUR CLUSTER

Systematic names

Not Assigned

Formula

Ag Fe3 S4

Formal charge

0

Molecular weight

403.663 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 S1[Fe]S[Fe]1.S2[Fe]S[Ag]2
SMILES OpenEye OEToolkits 1.9.2 [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ag]45
Canonical SMILES CACTVS 3.385 S1[Fe]S[Fe]1.S2[Fe]S[Ag]2
Canonical SMILES OpenEye OEToolkits 1.9.2 [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ag]45

IUPAC InChI

InChI=1S/Ag.3Fe.4S

IUPAC InChI key

FVQUTMRPEYETPT-UHFFFAOYSA-N
0KA

wwPDB Information

Atom count

8 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-01-31

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned