| An Information Portal to Biological Macromolecular Structures As of Tuesday Nov 05, 2013 at 4 PM PST there are 95280 Structures  |  PDB Statistics  |          Print Options:     BW     Color  |     Print URL:  Everything  Author Macromolecule Sequence | options Ligand | options   Search History, Previous Results Search Advanced Browse     PDB-101 Hide Structural View of Biology Understanding PDB Data Molecule of the Month Educational Resources Author Profiles     MyPDB Hide Login to your Account Register a New Account MyPDB Help Page Query Results Query History Username: Password: Forget your Password? Welcome ! Saved Query Manager Personal Annotations User Account Logout Admin Menu: Users Groups Status Properties Sessions Loaders Update Load Results Structure Utils Reconcile Missing Images Staged Content Weekly Update Developer Guide     Home Hide News & Publications Usage/Reference Policies Deposition Policies Website FAQ Deposition FAQ Contact Us About Us Careers External Links Sitemap New Website Features     Deposition Hide All Deposit Services Electron Microscopy X-ray | NMR Validation Server BioSync Beamlines/Facilities Related Tools     Tools Hide Download Files Compare Structures Drug & Drug Target Mapping File Formats RESTful Web Services Widgets     Help Hide Launch Help System Display Settings Video Tutorials Glossary of Terms RCSB PDB Mobile     PROTOPORPHYRIN IX CONTAINING FE   HEM is found in 3177 entries HEM   Display Files  close Structure Data File mmCIF component definition   Download Files  close Structure Data File mmCIF component definition   Share this Page close Facebook Twitter LinkedIn Email Link this Page   Chemical Component Summary   Hide Name PROTOPORPHYRIN IX CONTAINING FE Identifiers 3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid 3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid Synonyms HEME Formula C34 H32 Fe N4 O4 Molecular Weight 616.49 g/mol Type non-polymer Isomeric SMILES CC1=C(CCC(O)=O)C2=Cc3c(CCC(O)=O)c(C)c4C=C5C(C)=C(C=C)C6=[N]5[Fe]5([N]2=C1C=c1c(C=C)c(C)c(=C6)n51)n34 InChI InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- InChI key FEDYMSUPMFCVOD-UJJXFSCMSA-N   The chemistry of this component is ambiguous (group, ion, metal cluster etc.)   Links Hide BindingDB   Searches for more than 90% similar small molecules in BindingDB, a public database of measured binding affinities of drug-like molecules with protein drug-targets ChEBI   Searches ChEBI, a freely available dictionary of molecular entities that incorporates an ontological classification ChemSpider   Searches ChemSpider, a free access service providing a structure centric community for chemists CSLS   Searches the Chemical Structure Lookup Service (CSLS), meant to work as an address book for chemical structures eMolecules   Searches eMolecules providing suppliers and information for chemicals HIC-Up A freely accessible resource for structural biologists who are dealing dealing with hetero-compounds ("small molecules") KEGG COMPOUND   Searches KEGG COMPOUND for chemical substances and reactions that are relevant to life Ligand Expo An RCSB PDB resource for searching, exploring, and downloading information and coordinates about the chemical components found in the PDB PDBeChem Dictionary of chemical components in the PDB PubChem   Searches PubChem, a component of NIH's Molecular Libraries Roadmap Initiative with information on the biological activities of small molecules SuperLigands An encyclopedia dedicated to a ligand oriented view that integrates different information about drug-likeness or binding properties SuperHapten   Searches for similar small molecules in SuperHapten, an immunogenic compound database   Ligand Image Drag the right-bottom corner to resize. Toggle Hydrogens Labels Large image - View atom labels     Instances in PDB Entries Hide In polymers: 1 entries Ex: 3TNK As free ligands: 3177 entries Ex: 101M, 102M, 103M... Found in 3177 entries total.     Related Ligands in the PDB Hide Find stereoisomers Find similar ligands Use HEM for a chemical structure search     Chemical Details Hide Formal Charge 0 Atom Count 75 Chiral Atom Count 1 Chiral Atoms FE Bond Count 82 Aromatic Bond Count 28   The RCSB PDB is managed by two members of the RCSB: Rutgers and UCSD, and is funded by NSF, NIGMS, DOE, NLM, NCI, NINDS, and NIDDK. © RCSB Protein Data Bank