BioLiP

PDB

BioLiP

PDB CCD ID:

FNE

Number of entries in BioLiP:

Chemical formula:

C3 Fe Ni O3 S

InChI:

InChI=1S/3CO.Fe.Ni.S/c3*1-2;;;

InChIKey:

RSNJUOPWNIKDNA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(#O)[Fe]1(S[Ni]1)(C#O)C#O
CACTVS 3.385	[Fe]S[Ni].[C-]#[O+].[C-]#[O+].[C-]#[O+]

Name:

(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI)

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).