Structure of PDB 4cxu Chain A

Receptor sequence

>4cxuA (length=517) Species: 287 (Pseudomonas aeruginosa)

KRPNFLVIVADDLGFSDIGTFGGEIATPNLDALAIAGLRLTDFHTASAAS
PTRSMLLTGTDHHIAGIGTMAEALGYEGHLNERVVALPELLREAGYQTLM
AGKWHLGLKPEQTPHARGFERSFALLPGAANHYGFEPPYDESTPRILKGT
PALYVEDERYLDTLPEGFYSSDAFGDKLLQYLKERDQSRPFFAYLPFSAP
HWPLQAPREIVEKYRGRYDAGPEALRQERLARLKELGLVEADVEAHPVLA
LTREWEALEDEERAKSARAMEVYAAMVERMDWNIGRVVDYLRRQGELDNT
FVLFMSDNGAEGALLEAFPKFGPDLLDFLDRHYDNSLENIGRANSYVWYG
PRWAQAATAPSRLYKAFTTQGGIRVPALVRYPRLSRQGAISHAFATVMDV
TPTLLDLAGVRHPGKRWRGREIAEPRGRSWLGWLSGETEAAHDENTVTGW
GLFGMRAIRQGDWKAVYLPAPVGPATWQLYDLARDPGEIHDLADSQPGKL
AELIEHWKRYVSDTGVV

3D structure

• PDB: 4cxu Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
• Chain: A
• Resolution: 2.03 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 K103 H105 A129 H201 D307 N308 K365
• 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 D307 N308
BS02	62Y	A	X51 M72 G138 H211 F331 K375 F463	X49 M70 G128 H201 F321 K365 F453

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:4cxu, PDBe:4cxu, PDBj:4cxu
• PDBsum: 4cxu
• PubMed: 30012610
• UniProt: P51691|ARS_PSEAE Arylsulfatase (Gene Name=atsA)