Structure of PDB 4c1n Chain A Binding Site BS01

Receptor Information
>4c1n Chain A (length=442) Species: 129958 (Carboxydothermus hydrogenoformans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLTGLEIYKHLPKKNCKECGQPTCLAFAMQIAAGKAGLDACPYVSDEAKE
LLESASAPPVALIKVGKGEKVLEIGHETVLFRHDKRFEHPCGLAILVEDT
LSEGEIKERVEKINKLVFDRVGQMHSVNLVALKGSSQDAATFAKAVATAR
EVTDLPFILIGTPEQLAAALETEGANNPLLYAATADNYEQMVELAKKYNV
PLTVSAKGLDALAELVQKITALGYKNLILDPQPENISEGLFYQTQIRRLA
IKKLFRPFGYPTIAFALDENPYQAVMEASVYIAKYAGIIVLNTVEPADIL
PLITLRLNIYTDPQKPIAVEPKVYEILNPGPDAPVFITTNFSLTYFCVAG
DVEGARIPAYILPVDTDGTSVLTAWAAGKFTPEKIAQFLKESGIAEKVNH
RKAILPGGVAVLSGKLQELSGWEILVGPRESSGINSFIKQRW
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain4c1n Chain A Residue 1444 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4c1n ATP-Induced Electron Transfer by Redox-Selective Partner Recognition
Resolution2.53 Å
Binding residue
(original residue number in PDB)		P13 N16 C17 K18 C20 C25 F28 C42
Binding residue
(residue number reindexed from 1)		P12 N15 C16 K17 C19 C24 F27 C41
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008168 methyltransferase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0044237 cellular metabolic process
GO:0046356 acetyl-CoA catabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4c1n, PDBe:4c1n, PDBj:4c1n
PDBsum4c1n
PubMed25109607
UniProtQ3ACS3

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