Structure of PDB 5nx6 Chain A

Receptor sequence

>5nx6A (length=305) Species: 1901 (Streptomyces clavuligerus)

GHEEFDIPFPSRVNPFHARAEDRHVAWMRAMGLITGDAAEATYRRWSPAK
VGARWFYLAQGEDLDLGCDIFGWFFAYDDHFDPRQTAAFVNRTVAMLDPR
ADPTGEHPLNIAFHDLWQRESAPMSPLWQRRAVDHWTQYLTAHITEATNP
TIADYLELRHRTGFMPPLLDLIERVWRAEIPAPVYTTPEVQTLLHTTNQN
INIVNDVLSLEKEEAHGDPHNLVLVIQHERQSTRQQALATARRMIDEWTD
TFIRTEPRLPALCGRLGIPLADRTSLYTAVEGMRAAIRGNYDWCAETNRY
VHTPW

3D structure

• PDB: 5nx6 Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
• Chain: A
• Resolution: 1.63 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): F77 F78 D81 D85 R174 G178 N220 S224 K227 E228 H231 W308 C309 R314
• Catalytic site (residue number reindexed from 1): F74 F75 D78 D82 R159 G163 N205 S209 K212 E213 H216 W293 C294 R299
• Enzyme Commision number: 4.2.3.108: 1,8-cineole 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	LA6	A	F77 R174 M180 I216 N220 S224 K227 E228 N305 R314 Y315	F74 R159 M165 I201 N205 S209 K212 E213 N290 R299 Y300
BS02	MG	A	N220 S224 E228	N205 S209 E213
BS03	9D2	A	E6 L253 R257	E3 L238 R242
BS04	NDS	A	F19 R22 R26 Q63 G64	F16 R19 R23 Q60 G61

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016829 lyase activity
• GO:0046872 metal ion binding
• GO:0102313 1,8-cineole synthase activity

Biological Process

• GO:0033383 geranyl diphosphate metabolic process

External links

• PDB: RCSB:5nx6, PDBe:5nx6, PDBj:5nx6
• PDBsum: 5nx6
• PubMed: 28966840
• UniProt: B5GMG2|CNSA_STRCL 1,8-cineole synthase (Gene Name=cnsA)