PDB Chemical Component FSX

Experimental Model

Chemical Description

Name BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II)
Synonyms FE4-S3-O3 CLUSTER
Formula Fe4 O3 S3
Formal charge 0
Molecular weight 367.573 g/mol
Component type NON-POLYMER
Ambiguous Chemistry Warning The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical features

Atom count 10
Chiral atom count 2
Chiral atoms FE1 FE4
Bond count 14
Aromatic bond count 0

Chemical Descriptors

Stereo SMILES (CACTVS) O|[Fe]1O[Fe]|23S[Fe]|4|5|2S[Fe]|4(O1)S3|5
SMILES (CACTVS) O|[Fe]1O[Fe]|23S[Fe]|4|5|2S[Fe]|4(O1)S3|5
Stereo SMILES (OpenEye) [O][Fe]1O[Fe@@]23S[Fe]245[S]3[Fe@@]4(O1)S5
InChI descriptor InChI=1/4Fe.H2O.2O.3S/h;;;;1H2;;;;;/q;;;+1;;;;;;/p-1/f4Fe.HO.2O.3S/h;;;;1h;;;;;/q;;;m;-1;;;;;/rFe4HO3S3/c5-1-6-2-4(8-2)3(7-1,9-4)10(2)4/h5H
InChIKey descriptor BIOGFUMNBIDAOG-VNBKSMEUCR

Status Information

Last modified 2008-10-14
Created 2000-06-21
Release status REL
Model PDB code 1E3D
Processing site EBI