Structure of PDB 6xig Chain A Binding Site BS01

Receptor Information
>6xig Chain A (length=379) 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
LIGWEMSVDGMMEVLKKYDHEPVTEVHITGGVVPKQNLEFYSDFFRRAKA
HRPELHIKALTPVEYYYIFKKAKLSHYDGMKYMQEAGLDSMPGGGAEIFH
PEVREKIAHDKCNAEQWLDIHEQAHKLGMKTNATMLYGHIEQFWHRVDHM
ERLRRQQDKTGGFQAFIPLKFRNQHNQMDHVPEVSVIEDLRNYAIARIYM
DNFDHIKAYWAMISRQTAQLSLNFGVDDIDGTLDDTTKIYSMPAMSTRDL
VDLIKQVKRKPIERDTLYNVVTDYSQVTF
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 chain6xig Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xig Narrow-Spectrum Antibiotic Targeting of the Radical SAM Enzyme MqnE in Menaquinone Biosynthesis.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		C80 Y82 C84 C87 K207
Binding residue
(residue number reindexed from 1)		C89 Y91 C93 C96 K211
Annotation score1
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:6xig, PDBe:6xig, PDBj:6xig
PDBsum6xig
PubMed32627538
UniProtC6XW09

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