Structure of PDB 4d4g Chain A Binding Site BS02

Receptor Information
>4d4g Chain A (length=480) Species: 1160 (Planktothrix agardhii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FKQSIHQLFETQVERTPEAVAVLSEQGQLTYEELNTKANQLAHYLRTLGV
KSETLVGVCVDRSLEMVIGLLAILKAGGAYVPLDPTYPRERLTYMVQDAQ
ISVLVTQTQWSNLISDYQGQVICLDSQWAKIASYSQENLVNTVNPENLAY
VIYTSGSTGKPKGVMIEHQSLVNFTKLAIAQYQITTSDRTLQFVSISFDV
AAEEIYVTLCSGATLILRTEEMISSIPSFVQKSQDWQITVWSLPTAYWHL
LVNELVKSKIALPDSLRLVIIGGERVQPELVRMWFKNVGNFPELINVYGP
TEGTIAVSLCRLSQLTESQRNRTEIPIGKSLGENISVYVLDETLKTVPPE
TPGEIYIGGTALARGYLNRPELTAQKFIQDPFSPSERLYKTGDLGRYLAD
GNLEYLGRVDHQVKINGFRVELGEIETVLLQHHQVAQAVVIDRRLVAYLV
PHSTEENLTVTLQQFLKNKLPSYMIPATFV
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 chain4d4g Chain A Residue 1492 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4d4g Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D200 G300 P301 T302 I306
Binding residue
(residue number reindexed from 1)		D199 G299 P300 T301 I305
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) T155 F175 T302 E303 K415 R420
Catalytic site (residue number reindexed from 1) T154 F174 T301 E302 K414 R419
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0031177 phosphopantetheine binding
GO:0046872 metal ion binding
Biological Process
GO:0043041 amino acid activation for nonribosomal peptide biosynthetic process
GO:0044550 secondary metabolite biosynthetic process
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:4d4g, PDBe:4d4g, PDBj:4d4g
PDBsum4d4g
PubMed26096082
UniProtG0WVH3

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