BioLiP

PDB

BioLiP

PDB CCD ID:

ICG

Number of entries in BioLiP:

Chemical formula:

C Fe7 Mo S8 Se

InChI:

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

InChIKey:

FNMFDDWWTZZVEY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	S1[Fe]S[Fe]23S[Fe]4S[Fe]5[Se][Fe](S2)[C]3456[Fe]1S[Fe]67S[Mo]S7
OpenEye OEToolkits 1.9.2	C12345[Fe@]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12
CACTVS 3.385	S1[Fe]S[Fe@]23S[Fe]4S[Fe]5[Se][Fe](S2)[C]3456[Fe]1S[Fe]67S[Mo]S7
OpenEye OEToolkits 1.9.2	C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12

Name:

iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated

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).