Structure of PDB 3n0g Chain B

Receptor sequence

>3n0gB (length=524) Species: 80863 (Populus tremula x Populus alba)

NSWDYDFLLSVYKDKAKKLEAEVRREINNEKAEFLTLLELIDNVQRLGLG
YRFESDIRRALDRFVSSGGFDGVTKTSLHATALSFRLLRQHGFEVSQEAF
SGFKDQNGNFLENLKEDTKAILSLYEASFLALEGENILDEARVFAISHLK
ELSEEKIGKELAEQVNHALELPLHRRTQRLEAVWSIEAYRKKEDANQVLL
ELAILDYNMIQSVYQRDLRETSRWWRRVGLATKLHFARDRLIESFYWAVG
VAFEPQYSDCRNSVAKMFSFVTIIDDIYDVYGTLDELELFTDAVERWDVN
AINDLPDYMKLCFLALYNTINEIAYDNLKDKGENILPYLTKAWADLCNAF
LQEAKWLYNKSTPTFDDYFGNAWKSSSGPLQLIFAYFAVVQNIKKEEIEN
LQKYHDIISRPSHIFRLCNDLASASAEIARGETANSVSCYMRTKGISEEL
ATESVMNLIDETWKKMNKEKLGGSLFAKPFVETAINLARQSHCTYHNGDA
HTSPDELTRKRVLSVITEPILPFE

3D structure

• PDB: 3n0g Structure of isoprene synthase illuminates the chemical mechanism of teragram atmospheric carbon emission.
• Chain: B
• Resolution: 2.8 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): R308 W317 F338 D345 D349 S445 S446 S447 R486 N489 S493 E497 Y565 D569 H571
• Catalytic site (residue number reindexed from 1): R238 W247 F268 D275 D279 S375 S376 S377 R416 N419 S423 E427 Y495 D499 H501
• Enzyme Commision number: 4.2.3.27: isoprene synthase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	DST	B	D345 D349 N489	D275 D279 N419
BS02	MG	B	D345 D349 F420	D275 D279 F350
BS03	MG	B	D345 D349	D275 D279

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0010333 terpene synthase activity
• GO:0016829 lyase activity
• GO:0034009 isoprene synthase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0016102 diterpenoid biosynthetic process
• GO:0016114 terpenoid biosynthetic process
• GO:0120251 hydrocarbon biosynthetic process

Cellular Component

• GO:0009507 chloroplast

External links

• PDB: RCSB:3n0g, PDBe:3n0g, PDBj:3n0g
• PDBsum: 3n0g
• PubMed: 20624401
• UniProt: Q9AR86|ISPS_POPCN Isoprene synthase, chloroplastic (Gene Name=ISPS)