BioLiP

PDB

BioLiP

PDB CCD ID:

ICE

Number of entries in BioLiP:

Chemical formula:

C Fe7 Mo S8

InChI:

InChI=1S/C.7Fe.Mo.8S

InChIKey:

BJBPMDQXUSSDMI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	S1\|2[Fe]\|3S4\|[Fe]15S[Fe]67S8\|[Fe]9S%10\|[Mo]8S6\|[Fe]%10%11S[Fe@]4%12S\|3[Fe]\|2[C]579%11%12
OpenEye OEToolkits 1.7.6	C12345[Fe]6[S]7[Fe]18S[Fe]29[S]1[Fe]3[S]2[Fe]4([S]9[Mo]12)S[Fe]51[S]6[Fe]7[S]81
CACTVS 3.385	S1\|2[Fe]\|3S4\|[Fe]15S[Fe]67S8\|[Fe]9S%10\|[Mo]8S6\|[Fe]%10%11S[Fe]4%12S\|3[Fe]\|2[C]579%11%12

Name:

iron-sulfur-molybdenum cluster with interstitial carbon

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).