Structure of PDB 7tgn Chain B Binding Site BS01

Receptor Information
>7tgn Chain B (length=576) Species: 1936 (Streptomyces violaceus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMSLADSVAHLSPERWEQANRLLIRKALAEFAHERLITPERDGDVYVVRS
DDGLTGYRFTAAVRTLDHWQIDADSISRHRDGEELPLAALDFFIELKDSL
GLSDEILPVYLEEISSTLSGTCYKLTKPRITAAELAAGGFQAIETGMTEG
HPCFVANNGRLGFGIHEYLSYAPETASPVRLVWLAAHRSRAAFTAGVGID
YESFVRQELGEETVDRFHGVLRERGLDPADYLFIPVHPWQWWNKLSVTFA
AEVARQHLVCLGEGDDEYLAQQSIRTFFNTSHPEKHYVKTALSVINMGFM
RGLSAAYMEATPAINDWLAQLIEGDPVLKATGLTIIRERAAVGYRHLEYE
KATDRYSPYRKMLAALWRESPVPSLRDGESLATMASLLHVDHAGASFAGA
LIARSGLAPAEWLRRYLRAYYTPLLHSFYAYDLVYMPHGENVILVLKDGV
VERAIYKDIAEEICVMDPDAVLPPEVQRIRAEVPEDTKLLSVFTDVFDCF
FRFLAVNLASEGVLEEDDFWRTVAEVTREYQESMPELADKFRQYDMFAPE
FALSCLNRLQLRNNLVGTLRNPIAGF
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 chain7tgn Chain A Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7tgn An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		E166 N242
Binding residue
(residue number reindexed from 1)		E167 N243
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016881 acid-amino acid ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0009058 biosynthetic process
GO:0019290 siderophore biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7tgn, PDBe:7tgn, PDBj:7tgn
PDBsum7tgn
PubMed35750210
UniProtA0A1Q5L7T0

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