BioLiP

PDB

BioLiP

PDB CCD ID:

4WX

Number of entries in BioLiP:

Chemical formula:

C7 H4 Fe2 N2 O3 S3

InChI:

InChI=1S/C2H4S3.2CN.3CO.2Fe/c3-1-5-2-4;5*1-2;;/h1-2H2;;;;;;;/q;;;;2*+1;;

InChIKey:

MPZVJBTYPOXJKR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1[Fe]\|2(S\|3CSCS\|2[Fe]1\|3(C#N)C#[O+])(C#N)C#[O+]
OpenEye OEToolkits 1.7.6	C1SC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]

Name:

bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappaS:2kappaS)diiron(2+);
sulfuro-dimethyl-dithiolato-bridged [2Fe2S] cluster

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).