Structure of PDB 4cxs Chain A

Receptor sequence

>4cxsA (length=522) Species: 287 (Pseudomonas aeruginosa)

KRPNFLVIVADDLGFSDIGTFGGEIATPNLDALAIAGLRLTDFHTASAAS
PTRSMLLTGTDHHIAGIGTMAEALLEGKPGYEGHLNERVVALPELLREAG
YQTLMAGKWHLGLKPEQTPHARGFERSFALLPGAANHYGFEPPYDESTPR
ILKGTPALYVEDERYLDTLPEGFYSSDAFGDKLLQYLKERDQSRPFFAYL
PFSAPHWPLQAPREIVEKYRGRYDAGPEALRQERLARLKELGLVEADVEA
HPVLALTREWEALEDEERAKSARAMEVYAAMVERMDWNIGRVVDYLRRQG
ELDNTFVLFMSDNGAEGALLEAFPKFGPDLLDFLDRHYDNSLENIGRANS
YVWYGPRWAQAATAPSRLYKAFTTQGGIRVPALVRYPRLSRQGAISHAFA
TVMDVTPTLLDLAGVRHPGKRWRGREIAEPRGRSWLGWLSGETEAAHDEN
TVTGWGLFGMRAIRQGDWKAVYLPAPVGPATWQLYDLARDPGEIHDLADS
QPGKLAELIEHWKRYVSDTGVV

3D structure

• PDB: 4cxs Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
• Chain: A
• Resolution: 2.3 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 K108 H110 A134 H206 D312 N313 K370
• 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 D312 N313
BS02	SO4	A	H452 T456	H447 T451
BS03	SV7	A	X51 M72 E74 G138 H211 K375	X49 M70 E72 G133 H206 K370
BS04	SV7	A	K275 V357 W358	K270 V352 W353

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