Structure of PDB 6g5z Chain B

Receptor sequence

>6g5zB (length=503) Species: 382 (Sinorhizobium meliloti)

KPNILIIMVDQLNGKLFPDGPADFLHAPNLKALAKRSARFHNNYTSSPLT
APARASFMAGQLPSRTRVYDNAAEYQSSIPTYAHHLRRAGYYTALSGKMH
LVGPDQLHGFEERLTTDIYPADFGWTPDYRKPGERIDWWYHNLGSVTGAG
VAEITNQMEYDDEVAFLANQKLYQLSRENDDESRRPWCLTVSFTHPHDPY
VARRKFWDLYEDCEHLTPEVGAIPLDEQDPHSQRIMLSCDYQNFDVTEEN
VRRSRRAYFANISYLDEKVGELIDTLTRTRMLDDTLILFCSDHGDMLGER
GLWFKMNFFEGSARVPLMIAGPGIAPGLHLTPTSNLDVTPTLADLAGISL
EEVRPWTDGVSLVPMVNGVERTEPVLMEYAAEASYAPLVAIREGKWKYVY
CALDPEQLFDLEADPLELTNLAENPRGPVDQATLTAFRDMRAAHWDMEAF
DAAVRESQARRWVVYEALRNGAYYPWDHQPLASERYMRNHMNLDTLEESK
RYP

3D structure

• PDB: 6g5z Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
• Chain: B
• Resolution: 1.98 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D14 Q15 T54 R58 K102 H104 T130 H201 D296 H297 K309
• Catalytic site (residue number reindexed from 1): D10 Q11 T50 R54 K98 H100 T126 H197 D292 H293 K305
• Enzyme Commision number: 3.1.6.6: choline-sulfatase.

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	MG	B	D14 X54 D296 H297	D10 X50 D292 H293
BS02	SO4	B	R445 M451	R441 M447
BS03	SO4	B	H30 A31 P32 K35	H26 A27 P28 K31
BS04	SO4	B	Q435 R442	Q431 R438
BS05	SO4	B	P228 L229 Y245	P224 L225 Y241
BS06	SO4	B	X54 N75 Y123 H201 K309	X50 N71 Y119 H197 K305

Gene Ontology

Molecular Function

• GO:0008484 sulfuric ester hydrolase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding
• GO:0047753 choline-sulfatase activity

Biological Process

• GO:0042425 choline biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6g5z, PDBe:6g5z, PDBj:6g5z
• PDBsum: 6g5z
• PubMed: 35503214
• UniProt: O69787|BETC_RHIME Choline-sulfatase (Gene Name=betC)