Structure of PDB 7bzb Chain A Binding Site BS01

Receptor Information
>7bzb Chain A (length=534) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLWGDHFLSVSLDRGEFDELEREIETMKPLVKDMLMSSQSSDKEKIRLIH
LLVSLGSSYHFDKEIQDILKHSFTKLDDIIVGEDDLETISIMFEVFRLYG
HKMSCDAFDRFRGEDGRFKESLAKDVRGMLQLFEVAHLGTPSEDIMDEAS
SFAQNHLDSWIGGNVSGATPHLLKHIQNSLYIPRYCNIEVLVAREYISYY
EQEEGHNKILLKFAKLNFNFCQFHYIQELKTLTKWWKDLDLASKLPYIRD
RLVESHLGGLGPYFEPHYSLGRIIVAKIIMTMVVVDDTYDAHATVPEVAV
LTECLQRLNIGADDKLPDYLRTVLESVFEVMGEIEQEMRPKGRSYGVKQV
LERFKNVAKADKQLTEWARTGDVPSFDEYMKVGLVTAGMDGYAGYCFIGM
EDVSEKEAFEWLSSNPLIIQALNVMFRLANDVGTYETEINRGEVANGLNC
YMKQYGVTKEEASQELRKIYSNNKKVVMEEFMNSHDHVPRQVLLRCLNFA
RLFDVMYTEGDGYSEPKGKIEHFMTSLYVHPIPL
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 chain7bzb Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bzb Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Resolution2.148 Å
Binding residue
(original residue number in PDB)		N450 D451 E458
Binding residue
(residue number reindexed from 1)		N430 D431 E438
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R269 G278 I299 D306 D310 T406 A407 G408 R447 N450 T454 E458 Y527 D531 Y533
Catalytic site (residue number reindexed from 1) R249 G258 I279 D286 D290 T386 A387 G388 R427 N430 T434 E438 Y507 D511 Y513
Enzyme Commision number 4.2.3.-
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:0016102 diterpenoid biosynthetic process
GO:0016114 terpenoid biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7bzb, PDBe:7bzb, PDBj:7bzb
PDBsum7bzb
PubMed33367256
UniProtQ9LUE2|TPS18_ARATH Terpenoid synthase 18 (Gene Name=TPS18)

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