Structure of PDB 6w26 Chain A Binding Site BS01

Receptor Information
>6w26 Chain A (length=292) Species: 229533 (Fusarium graminearum PH-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YSETSDLVDISRFDTHGLGANYKLRRHKFEHLADTGCHKARSDWVKYIGP
LTEFGGCNHINGNFSAVVLPLCRPDRLELIAYVLEFAFLHDSVLESEAEA
GLRLLYERCISRLLQTDEVCAKKIAKTWKDAINTTTKDKNVDFQSIEDYL
EFRMIDTGAPFVEALMLFGLGMSLSPQEDDALGHVIRPCFAALALTNDYF
SFDREIEEVDTSTLINSVAIVMRIQSLDIPTAKTIINETIQKYEREFLRR
IDEYKQHKGPISNKIEQYMEAMTYQISGNLVWSLNCPRYNPD
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6w26 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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PDB6w26 Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D94 E98
Binding residue
(residue number reindexed from 1)		D91 E95
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F91 A143 A171 W294
Catalytic site (residue number reindexed from 1) F88 A131 A159 W282
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6w26, PDBe:6w26, PDBj:6w26
PDBsum6w26
PubMed32769971
UniProtI1RDR8

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