PDB entry 4cxs

View 4cxs on RCSB PDB site
Description: G4 mutant of PAS, arylsulfatase from Pseudomonas aeruginosa, in complex with Phenylphosphonic acid
Class: hydrolase
Keywords: hydrolase, catalytic promiscuity, directed evolution, neutral drift, sulfatase, superfamily
Deposited on 2014-04-08, released 2015-05-13
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-07-10, with a file datestamp of 2019-07-05.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: arylsulfatase
    Species: Pseudomonas aeruginosa [TaxId:287]
    Database cross-references and differences (RAF-indexed):
    • Uniprot U6AIT1
      • engineered mutation (21)
      • engineered mutation (49)
      • engineered mutation (133)
      • engineered mutation (336)
      • engineered mutation (460)
      • engineered mutation (522)
    Domains in SCOPe 2.08: d4cxsa_
  • Chain 'B':
    Compound: arylsulfatase
    Species: Pseudomonas aeruginosa [TaxId:287]
    Database cross-references and differences (RAF-indexed):
    • Uniprot U6AIT1
      • engineered mutation (21)
      • engineered mutation (49)
      • engineered mutation (133)
      • engineered mutation (336)
      • engineered mutation (460)
      • engineered mutation (522)
    Domains in SCOPe 2.08: d4cxsb_
  • Heterogens: CA, SO4, SV7, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4cxsA (A:)
mskrpnflvivaddlgfsdigtfggeiatpnldalaiaglrltdfhtasaxsptrsmllt
gtdhhiagigtmaealtpelegkpgyeghlnervvalpellreagyqtlmagkwhlglkp
eqtphargfersfallpgaanhygfeppydestprilkgtpalyvederyldtlpegfys
sdafgdkllqylkerdqsrpffaylpfsaphwplqapreivekyrgrydagpealrqerl
arlkelglveadveahpvlaltrewealedeeraksaramevyaamvermdwnigrvvdy
lrrqgeldntfvlfmsdngaegalleafpkfgpdlldfldrhydnslenigransyvwyg
prwaqaatapsrlykafttqggirvpalvryprlsrqgaishafatvmdvtptlldlagv
rhpgkrwrgreiaeprgrswlgwlsgeteaahdentvtgwglfgmrairqgdwkavylpa
pvgpatwqlydlardpgeihdladsqpgklaeliehwkryvsdtgvvegaspflvr

    Sequence, based on observed residues (ATOM records): (download) 
    >4cxsA (A:)
krpnflvivaddlgfsdigtfggeiatpnldalaiaglrltdfhtasaxsptrsmlltgt
dhhiagigtmaeallegkpgyeghlnervvalpellreagyqtlmagkwhlglkpeqtph
argfersfallpgaanhygfeppydestprilkgtpalyvederyldtlpegfyssdafg
dkllqylkerdqsrpffaylpfsaphwplqapreivekyrgrydagpealrqerlarlke
lglveadveahpvlaltrewealedeeraksaramevyaamvermdwnigrvvdylrrqg
eldntfvlfmsdngaegalleafpkfgpdlldfldrhydnslenigransyvwygprwaq
aatapsrlykafttqggirvpalvryprlsrqgaishafatvmdvtptlldlagvrhpgk
rwrgreiaeprgrswlgwlsgeteaahdentvtgwglfgmrairqgdwkavylpapvgpa
twqlydlardpgeihdladsqpgklaeliehwkryvsdtgvv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4cxsB (B:)
mskrpnflvivaddlgfsdigtfggeiatpnldalaiaglrltdfhtasaxsptrsmllt
gtdhhiagigtmaealtpelegkpgyeghlnervvalpellreagyqtlmagkwhlglkp
eqtphargfersfallpgaanhygfeppydestprilkgtpalyvederyldtlpegfys
sdafgdkllqylkerdqsrpffaylpfsaphwplqapreivekyrgrydagpealrqerl
arlkelglveadveahpvlaltrewealedeeraksaramevyaamvermdwnigrvvdy
lrrqgeldntfvlfmsdngaegalleafpkfgpdlldfldrhydnslenigransyvwyg
prwaqaatapsrlykafttqggirvpalvryprlsrqgaishafatvmdvtptlldlagv
rhpgkrwrgreiaeprgrswlgwlsgeteaahdentvtgwglfgmrairqgdwkavylpa
pvgpatwqlydlardpgeihdladsqpgklaeliehwkryvsdtgvvegaspflvr

    Sequence, based on observed residues (ATOM records): (download) 
    >4cxsB (B:)
krpnflvivaddlgfsdigtfggeiatpnldalaiaglrltdfhtasaxsptrsmlltgt
dhhiagigtmaeagyeghlnervvalpellreagyqtlmagkwhlglkpeqtphargfer
sfallpgaanhygfeppydestprilkgtpalyvederyldtlpegfyssdafgdkllqy
lkerdqsrpffaylpfsaphwplqapreivekyrgrydagpealrqerlarlkelglvea
dveahpvlaltrewealedeeraksaramevyaamvermdwnigrvvdylrrqgeldntf
vlfmsdngaegalleafkfgpdlldfldrhydnslenigransyvwygprwaqaatapsr
lykafttqggirvpalvryprlsrqgaishafatvmdvtptlldlagvrhpgkrwrgrei
aeprgrswlgwlsgeteaahdentvtgwglfgmrairqgdwkavylpapvgpatwqlydl
ardpgeihdladsqpgklaeliehwkryvsdtgvv