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BioLiP

PDB CCD ID: S5Q
Number of entries in BioLiP: 4
Chemical formula: C Fe8 S9
InChI: InChI=1S/C.8Fe.9S/q+2;;;;;;;;;;;;6*-1
InChIKey: ARHQIUGQOSHZFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0[C+2]12345[Fe]67S[Fe]18[S-]9[Fe]21S[Fe]32[S-]6[Fe]3[S-]7[Fe]4([S-]23)S[Fe]52[S-]8[Fe]9[S-]12
CACTVS 3.385S1[Fe]23[S-]4[Fe]5[S-]2[Fe]67S[Fe]89[S-]%10[Fe]%11[S-]%12[Fe]1%10[C++]368%13[Fe]4(S[Fe]%12%13[S-]9%11)[S-]57
Name:FeFe cofactor
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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