Structure of PDB 3c8f Chain A Binding Site BS02

Receptor Information
>3c8f Chain A (length=245) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVIGRIHSFESCGTVDGPGIRFITFFQGCLMRCLYCHNRDTWDTHGGKEV
TVEDLMKEVVTYRHFMNASGGGVTASGGEAILQAEFVRDWFRACKKEGIH
TCLDTNGFVRRYDPVIDELLEVTDLVMLDLKQMNDEIHQNLVGVSNHRTL
EFAKYLANKNVKVWIRYVVVPGWSDDDDSAHRLGEFTRDMGNVEKIELLP
YHELGKHKWVAMGEEYKLDGVKPPKKETMERVKGILEQYGHKVMF
Ligand information
Ligand IDMT2
InChIInChI=1S/C7H15NO2S/c1-3-11(2)5-4-6(8)7(9)10/h6H,3-5,8H2,1-2H3/p+1/t6-,11+/m0/s1
InChIKeyCHUUUZMZGJUUGS-UPONEAKYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC[S+](C)CCC(C(=O)O)N
CACTVS 3.341CC[S+](C)CC[CH](N)C(O)=O
CACTVS 3.341CC[S@@+](C)CC[C@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CC[S+](C)CC
OpenEye OEToolkits 1.5.0CC[S@@+](C)CC[C@@H](C(=O)O)N
FormulaC7 H16 N O2 S
Name[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium;
S-ethyl-L-Methionine
ChEMBL
DrugBank
ZINC
PDB chain3c8f Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3c8f Structural basis for glycyl radical formation by pyruvate formate-lyase activating enzyme.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		G77 G78 N106 D129 R166
Binding residue
(residue number reindexed from 1)		G77 G78 N106 D129 R166
Annotation score2
Enzymatic activity
Enzyme Commision number 1.97.1.4: [formate-C-acetyltransferase]-activating enzyme.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0030955 potassium ion binding
GO:0043365 [formate-C-acetyltransferase]-activating enzyme activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006006 glucose metabolic process
GO:0006974 DNA damage response
GO:0051604 protein maturation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3c8f, PDBe:3c8f, PDBj:3c8f
PDBsum3c8f
PubMed18852451
UniProtP0A9N4|PFLA_ECOLI Pyruvate formate-lyase 1-activating enzyme (Gene Name=pflA)

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