Structure of PDB 4okz Chain A Binding Site BS01

Receptor Information
>4okz Chain A (length=346) Species: 457429 (Streptomyces pristinaespiralis ATCC 25486) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELTVPPLFSPIRQAIHPKHADIDVQTAAWAETFRIGSEELRGKLVTQDIG
TFSARILPEGREEVVSLLADFILWLFGVDDGHCEEGELGHRPGDLAGLLH
RLIRVAQNPEAPMMQDDPLAAGLRDLRMRVDRFGTAGQTARWVDALREYF
FSVVWEAAHRRAGTVPDLNDYTLMRLYDGATSVVLPMLEMGHGYELQPYE
RDRTAVRAVAEMASFIITWDNDIFSYHKERRGSGYYLNALRVLEQERGLT
PAQALDAAISQRDRVMCLFTTVSEQLAEQGSPQLRQYLHSLRCFIRGAQD
WGISSVRYTTPDDPANMPSVFTDVPTDDSTEPLDIPAVSWWWDLLA
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 chain4okz Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4okz Induced-fit mechanism in class i terpene cyclases.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D82 E87
Binding residue
(residue number reindexed from 1)		D79 E84
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L78 F79 D82 E88 R163 R178 G182 N224 S228 K231 E232 S236 W304 G305 R310
Catalytic site (residue number reindexed from 1) L75 F76 D79 E85 R160 R175 G179 N221 S225 K228 E229 S233 W301 G302 R307
Enzyme Commision number 4.2.3.181: selina-4(15),7(11)-diene synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0010333 terpene synthase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0016114 terpenoid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4okz, PDBe:4okz, PDBj:4okz
PDBsum4okz
PubMed24890698
UniProtB5HDJ6|SEDS_STRE2 Selina-4(15),7(11)-diene synthase ((2E,6E)-farnesyl diphosphate cyclizing) (Gene Name=SSDG_02809)

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