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 2.07 freeze date was dated 2015-05-13, with a file datestamp of 2015-05-08.
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 2.07: 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 2.07: 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