Structure of PDB 2hfk Chain A Binding Site BS01

Receptor Information
>2hfk 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
GGTALLPADLDTALDAQARAILRAAGDAPVVLLGHAGGALLAHELAFRLE
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 chain2hfk Chain A Residue 710 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hfk Structural Basis for Macrolactonization by the Pikromycin Thioesterase
Resolution1.79 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) A148 G149 D176 H268
Catalytic site (residue number reindexed from 1) A136 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:2hfk, PDBe:2hfk, PDBj:2hfk
PDBsum2hfk
PubMed16969372
UniProtQ9ZGI2|PIKA4_STRVZ Narbonolide/10-deoxymethynolide synthase PikA4, module 6 (Gene Name=pikAIV)

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