Structure of PDB 4cyr Chain A

Receptor sequence

>4cyrA (length=526) Species: 287 (Pseudomonas aeruginosa)

KRPNFLVIVADDLGFSDIGTFGGEIATPNLDALAIAGLRLTDFHTASAAS
PTRSMLLTGTDHHIAGIGTMAEALTPELEGKPGYEGHLNERVVALPELLR
EAGYQTLMAGKWHLGLKPEQTPHARGFERSFALLPGAANHYGFEPPYDES
TPRILKGTPALYVEDERYLDTLPEGFYSSDAFGDKLLQYLKERDQSRPFF
AYLPFSAPHWPLQAPREIVEKYRGRYDAGPEALRQERLARLKELGLVEAD
VEAHPVLALTREWEALEDEERAKSARAMEVYAAMVERMDWNIGRVVDYLR
RQGELDNTFVLFMSDNGAEGALLEAFPKFGPDLLDFLDRHYDNSLENIGR
ANSYVWYGPRWAQAATAPSRLYKAFTTQGGIRVPALVRYPRLSRQGAISH
AFATVMDVTPTLLDLAGVRHPGKRWRGREIAEPRGRSWLGWLSGETEAAH
DENTVTGWGLFGMRAIRQGDWKAVYLPAPVGPATWQLYDLARDPGEIHDL
ADSQPGKLAELIEHWKRYVSDTGVVE

3D structure

• PDB: 4cyr Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
• Chain: A
• Resolution: 1.72 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	SO4	A	H452 T456	H450 T454
BS02	SO4	A	P329 P333 D334	P327 P331 D332
BS03	CA	A	D13 D14 X51 D317 N318	D11 D12 X49 D315 N316
BS04	SO4	A	Y300 R303	Y298 R301
BS05	SO4	A	X51 M72 H115 H211 K375	X49 M70 H113 H209 K373

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