BioLiP

PDB

BioLiP

PDB CCD ID:

82N

Number of entries in BioLiP:

Chemical formula:

C Fe3 N Ni S4

InChI:

InChI=1S/CN.3Fe.Ni.4S/c1-2;;;;;;;;/q;;;;;;3*+1

InChIKey:

FCGMBZZPUCDYKZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(#N)[Ni]12[S+]3[Fe]1456[S+]2[Fe]478[Fe]53([S+]67)S8
OpenEye OEToolkits 1.7.6	C(#N)[Ni]12[S@+]3[Fe]1456[S@@+]2[Fe]478[Fe]53([S+]67)S8
CACTVS 3.385	N#C[Ni]12[S+]3[Fe]\|456S[Fe]78\|4[S+]5[Fe]1367[S+]28
CACTVS 3.385	N#C[Ni]12[S@@+]3[Fe]\|456S[Fe]78\|4[S+]5[Fe]1367[S@+]28

Name:

NICKEL IRON CLSUTER WITH CYANIDE BOUND

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).