Structure of PDB 5nx7 Chain A

Receptor sequence

>5nx7A (length=308)

GHEEFDIPFPSRVNPFHARAEDRHVAWMRAMGLITGDAAEATYRRWSPAK
VGARWFYLAQGEDLDLGCDIFGWFFAYDDHFDGTAAFVNRTVAMLDPRAD
PTGEHPLNIAFHDLWQRESAPMSPLWQRRAVDHWTQYLTAHITEATNRTR
SPTIADYLELRHRTGFMPPLLDLIERVWRAEIPAPVYTTPEVQTLLHTTN
QNINIVNDVLSLEKEEAHGDPHNLVLVIQHERQSTRQQALATARRMIDEW
TDTFIRTEPRLPALCGRLGIPLADRTSLYTAVEGMRAAIRGNYDWCAETN
RYVHRTPW

3D structure

• PDB: 5nx7 Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
• Chain: A
• Resolution: 1.51 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): F77 F78 D81 D85 R159 R174 G178 N220 S224 K227 E228 H231 W308 C309 R314
• Catalytic site (residue number reindexed from 1): F74 F75 D78 D82 R148 R161 G165 N207 S211 K214 E215 H218 W295 C296 R301
• 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	0FV	A	F77 R174 L183 I216 N220 S224 K227 E228 W308 R314 Y315	F74 R161 L170 I203 N207 S211 K214 E215 W295 R301 Y302
BS02	LA6	A	F77 F78 D81 R174 M180 I216 N220 S224 K227 E228 R314 Y315	F74 F75 D78 R161 M167 I203 N207 S211 K214 E215 R301 Y302
BS03	MG	A	N220 S224 E228	N207 S211 E215
BS04	9D2	A	E6 Q250 R257	E3 Q237 R244
BS05	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:5nx7, PDBe:5nx7, PDBj:5nx7
• PDBsum: 5nx7
• PubMed: 28966840
• UniProt: B5GMG2|CNSA_STRCL 1,8-cineole synthase (Gene Name=cnsA)