Structure of PDB 8b4l Chain D Binding Site BS01

Receptor Information
>8b4l Chain D (length=305) Species: 1901 (Streptomyces clavuligerus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTISVPQLDCPLSRPVHPEGERADAYAVEWLRGVGLMADEADAAPVLAVG
LGRLAACYVDENASWDTLAFMTILLAWYAEYDDRAIDSTGLTDAEVAELH
RALGEILRDRPAPDPSDPVQRGLADVWRTLNGLASDWDRAAFVDTTLRYF
EANRYERVNIRRGIPPTPSAHIGMRRHGGHVYGMYILGAAVNGYRPERRV
LDHAAVRELETLAANYTSWANDLHSFAREHRMGQVNNLVWSVHHHEGLTF
QQAADRVADLCDKELAAYLELRQTLPELGIPLTGATGRHVRFLEDMMWSM
VDWSA
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 chain8b4l Chain D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8b4l crystal structure of s hydropyrene synthase in its closed conformation
Resolution3.394 Å
Binding residue
(original residue number in PDB)		N225 S229 E233
Binding residue
(residue number reindexed from 1)		N221 S225 E229
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.3.201: hydropyrene synthase.
4.2.3.202: hydropyrenol synthase.
4.2.3.203: isoelisabethatriene synthase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8b4l, PDBe:8b4l, PDBj:8b4l
PDBsum8b4l
PubMed
UniProtD5SK09|HPS_STRCL Hydropyrene synthase (Gene Name=SCLAV_p0765)

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