Structure of PDB 3g4f Chain B

Receptor sequence

>3g4fB (length=515) Species: 29729 (Gossypium arboreum)

ADFQPSIWGDLFLNCPDDAETEKRHQQLKEEVRKMIVAPMANSTQKLAFI
DSVQRLGVSYHFTKEIEDELENIYHNNNDAENDLYTTSIRFRLLREHGYN
VSCDVFNKFKDEQGNFKSSVTSDVRGLLELYQASYLRVHGEDILDEAISF
TTHHLSLAVASLDHPLSEEVSHALKQSIRRGLPRVEARHYLSVYQDESHN
KALLEFAKIDFNMLQFLHRKELSEICRWWKDLDFQRKLPYARDRVVEGYF
WISGVYFEPQYSLGRKMLTKVIAMASIVDDTYDSYATYEELIPYTNAIER
WDIKCIDEIPEYMKPSYKALLDVYEEMVQLVAEHGRQYRVEYAKNAMIRL
AQSYLVEAKWTLQNYKPSFEEFKANALPTCGYAMLAITSFVGMGDIVTPE
TFKWAASDPKIIQASTIICRFMDDVAEHKFDCSAIECYMEEYGVTAQEAY
DVFNKHVESAWKDLNQEFLKPTEMPTEVLNRSLNLARVMDVLYREYVGKA
AKGGITSLLIEPIAL

3D structure

• PDB: 3g4f Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
• Chain: B
• Resolution: 2.651 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): R270 W279 I300 D307 D311 T407 C408 G409 R448 D451 E455 Y527
• Catalytic site (residue number reindexed from 1): R242 W251 I272 D279 D283 T379 C380 G381 R420 D423 E427 Y493
• Enzyme Commision number: 4.2.3.13: (+)-delta-cadinene 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	FPF	B	D307 D451 E455 Y527 Y535 V536	D279 D423 E427 Y493 Y496 V497
BS02	MG	B	D307 D311	D279 D283
BS03	MG	B	D307 D311	D279 D283
BS04	MG	B	D451 E455	D423 E427

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0010333 terpene synthase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding
• GO:0047461 (+)-delta-cadinene synthase activity

Biological Process

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

External links

• PDB: RCSB:3g4f, PDBe:3g4f, PDBj:3g4f
• PDBsum: 3g4f
• PubMed: 19489610
• UniProt: Q39761|DCS1_GOSAR (+)-delta-cadinene synthase isozyme XC1