BioLiP

PDB

BioLiP

PDB CCD ID:

8P8

Number of entries in BioLiP:

Chemical formula:

C Fe7 S8 V

InChI:

InChI=1S/C.7Fe.8S.V/q+2;;;;;;;;;;6*-1;

InChIKey:

DYVZWQKCGNUCRR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	[C+2]12345[Fe]6[S-]7[Fe]18S[Fe]29[S-]1[Fe]3[S-]2[Fe]1[S-]9[Fe]42S[Fe]51[S-]6[V]7[S-]81
CACTVS 3.385	S1[Fe@]23[S-]4[V]5[S-]6[Fe]4[C++]2789[Fe]%10[S-]%11[Fe]%12[S-]%10[Fe@]7(S[Fe@@]68[S-]35)[S-]%12[Fe@@]19%11
CACTVS 3.385	S1[Fe]23[S-]4[V]5[S-]6[Fe]4[C++]2789[Fe]%10[S-]%11[Fe]%12[S-]%10[Fe]7(S[Fe]68[S-]35)[S-]%12[Fe]19%11

Name:

C Fe7 S8 V

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).