Structure of PDB 6xi9 Chain B Binding Site BS02

Receptor Information
>6xi9 Chain B (length=380) Species: 485917 (Pedobacter heparinus DSM 2366) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTENLYFQSMDTTSKLALILADADLPAALKAIALKVQNQERITFDEGVYL
YENAELGYLGVLANYIREQKHGDNTYFNRNFHIEPTNVCVYDCKFCSYSR
LIKQKEEGWEMSVDGMMEVLKKYDHEPVTEVHITGGVVPKQNLEFYSDFF
RRAKAHRPELHIKALTPVEYYYIFKKAKLSHYDGMKYMQEAGLDSMPGGG
AEIFHPEVREKIAHDKCNAEQWLDIHEQAHKLGMKTNATMLYGHIEQFWH
RVDHMERLRRQQDKTGGFQAFIPLKFRNQHNQMDHVPEVSVIEDLRNYAI
ARIYMDNFDHIKAYWAMISRQTAQLSLNFGVDDIDGTLDDTTKIYPAMST
RDLVDLIKQVKRKPIERDTLYNVVTDYSQV
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain6xi9 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xi9 Narrow-Spectrum Antibiotic Targeting of the Radical SAM Enzyme MqnE in Menaquinone Biosynthesis.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		G126 T157 V159 G191
Binding residue
(residue number reindexed from 1)		G135 T166 V168 G200
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.120: aminodeoxyfutalosine synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005506 iron ion binding
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0044689 7,8-didemethyl-8-hydroxy-5-deazariboflavin synthase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0102573 aminodeoxyfutalosine synthase activity
Biological Process
GO:0009234 menaquinone biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6xi9, PDBe:6xi9, PDBj:6xi9
PDBsum6xi9
PubMed32627538
UniProtC6XW09

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