Structure of PDB 5aj9 Chain A

Receptor sequence

>5aj9A (length=526) Species: 287 (Pseudomonas aeruginosa)

KRPNFLVIVADDLGFSDIGAFGGEIATPNLDALAIAGLRLTDFHTASAAS
PTRSMLLTGTDHHIAGLGTVAEALTPELEGKPGYEGHLNERVVALPELLR
EAGYQTLMAGKWHLGLKPEQTPHARGFERSFSLLPGAANHYGFEPPYDES
TPRILKGTPALYVEDERYLDTLPEGFYSSDAFGDKLLQYLKERDQSRPFF
AYLPFSAPHWPLQAPREIVEKYRGRYDAGPEALRQERLARLKELGLVEAD
VEAHPVLALTREWEALEDEERAKSARAMEVYAAMVERMDWNIGRVVDYLR
RQGELDNTFVLFMSDNGAEGALLEAFPKFGPDLLDFLDRHYDNSLENIGS
ANSYVWYGPRWAQAATAPSRLYKAFTTQGGIRVPALVRYPRLSRQGAISH
AFATVMDVTPTLLDLAGVRHPGKRWRGREIAEPRGRSWLGWLSGETEAAH
DENTVTGWGLFGMRAIRQGDWKAVYLPAPVGPATWQLYDLARDPGEIHDL
ADSQPGKLAELIEHWKRYVSDTGVVE

3D structure

• PDB: 5aj9 Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
• Chain: A
• Resolution: 2.0 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D13 D14 A51 R55 K113 H115 A139 H211 D317 N318 K375
• Catalytic site (residue number reindexed from 1): D11 D12 A49 R53 K111 H113 A137 H209 D315 N316 K373
• Enzyme Commision number: 3.1.6.1: arylsulfatase (type I).

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	CA	A	D13 D14 X51 D317 N318	D11 D12 X49 D315 N316
BS02	SO4	A	X51 H211 K375	X49 H209 K373
BS03	SO4	A	H452 T456	H450 T454
BS04	SO4	A	Y143 P217 R218	Y141 P215 R216
BS05	SO4	A	Q197 Q304	Q195 Q302

Gene Ontology

Molecular Function

• GO:0004065 arylsulfatase activity
• GO:0008081 phosphoric diester hydrolase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5aj9, PDBe:5aj9, PDBj:5aj9
• PDBsum: 5aj9
• PubMed: 30012610
• UniProt: P51691|ARS_PSEAE Arylsulfatase (Gene Name=atsA)