SEQ2FUN

BioLiP

PDB CCD ID: OF1
Number of entries in BioLiP: 0
Chemical formula: Fe H2 O
InChI: InChI=1/Fe.H2O/h;1H2/q+2;/rFeH2O/c1-2/h2H2/q+2
InChIKey: ITHCMTBUBRIKKJ-VLFFPDBTAW
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[OH2][Fe+2]
CACTVS 3.341O|[Fe++]
Name:FERROUS ION, 1 WATER COORDINATED
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).