Structure of PDB 2h7y Chain A Binding Site BS01

Receptor Information
>2h7y Chain A (length=280) Species: 54571 (Streptomyces venezuelae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGMFRALFRQAVEDDRYGEFLDVLAEASAFRPQFASPEACSERLDPVLLA
GGPTDAEGRAVLVGCTGTAANGGPHEFLRLSTSFQEERDFLAVPLPGYGT
GGTALLPADLDTALDAQARAILRAAGDAPVVLLGHSGGALLAHELAFRLE
RAHGAPPAGIVLVDPYPPGHQEPIEVWSRQLGEGLFAGELEPMSDARLLA
MGRYARFLAGPRPGRSSAPVLLVRASEPLGDWQEERGDWRAHWDLPHTVA
DVPGDHFTMMRDHAPAVAEAVLSWLDAIEG
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 chain2h7y Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2h7y Structural and Mechanistic Insights of Polyketide Macrolactonization from Polyketide-based Affinity Labels
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H254 D256
Binding residue
(residue number reindexed from 1)		H242 D244
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S148 G149 D176 H268
Catalytic site (residue number reindexed from 1) S136 G137 D164 H256
Enzyme Commision number 2.3.1.239: 10-deoxymethynolide syntase.
2.3.1.240: narbonolide synthase.
Gene Ontology
Biological Process
GO:0009058 biosynthetic process

View graph for
Biological Process
External links
PDB RCSB:2h7y, PDBe:2h7y, PDBj:2h7y
PDBsum2h7y
PubMed16969373
UniProtQ9ZGI2|PIKA4_STRVZ Narbonolide/10-deoxymethynolide synthase PikA4, module 6 (Gene Name=pikAIV)

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