PDB entry 4cys

View 4cys on RCSB PDB site
Description: G6 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 2014-04-14, released 2015-04-29
The last revision prior to the SCOPe 2.07 freeze date was dated 2015-04-29, with a file datestamp of 2015-04-24.
Experiment type: XRAY
Resolution: 1.88 Å
R-factor: N/A
AEROSPACI score: 0.34 (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 P51691 (Start-535)
      • engineered mutation (49)
      • engineered mutation (71)
      • engineered mutation (336)
      • engineered mutation (351)
      • engineered mutation (460)
      • engineered mutation (522)
    Domains in SCOPe 2.07: d4cysa_
  • Chain 'B':
    Compound: arylsulfatase
    Species: Pseudomonas aeruginosa [TaxId:287]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P51691 (Start-535)
      • engineered mutation (49)
      • engineered mutation (71)
      • engineered mutation (336)
      • engineered mutation (351)
      • engineered mutation (460)
      • engineered mutation (522)
    Domains in SCOPe 2.07: d4cysb_
  • Heterogens: CA, SV7, PEG, NH4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4cysA (A:)
    mskrpnflvivaddlgfsdigafggeiatpnldalaiaglrltdfhtasaxsptrsmllt
    gtdhhiagigtvaealtpelegkpgyeghlnervvalpellreagyqtlmagkwhlglkp
    eqtphargfersfsllpgaanhygfeppydestprilkgtpalyvederyldtlpegfys
    sdafgdkllqylkerdqsrpffaylpfsaphwplqapreivekyrgrydagpealrqerl
    arlkelglveadveahpvlaltrewealedeeraksaramevyaamvermdwnigrvvdy
    lrrqgeldntfvlfmsdngaegalleafpkfgpdlldfldrhydnslenigsansyvwyg
    prwaqaatapsrlykafttqggirvpalvryprlsrqgaishafatvmdvtptlldlagv
    rhpgkrwrgreiaeprgrswlgwlsgeteaahdentvtgwglfgmrairqgdwkavylpa
    pvgpatwqlydlardpgeihdladsqpgklaeliehwkryvsdtgvvegaspflvr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4cysA (A:)
    krpnflvivaddlgfsdigafggeiatpnldalaiaglrltdfhtasaxsptrsmlltgt
    dhhiagigtvaealtpelegkpgyeghlnervvalpellreagyqtlmagkwhlglkpeq
    tphargfersfsllpgaanhygfeppydestprilkgtpalyvederyldtlpegfyssd
    afgdkllqylkerdqsrpffaylpfsaphwplqapreivekyrgrydagpealrqerlar
    lkelglveadveahpvlaltrewealedeeraksaramevyaamvermdwnigrvvdylr
    rqgeldntfvlfmsdngaegalleafpkfgpdlldfldrhydnslenigsansyvwygpr
    waqaatapsrlykafttqggirvpalvryprlsrqgaishafatvmdvtptlldlagvrh
    pgkrwrgreiaeprgrswlgwlsgeteaahdentvtgwglfgmrairqgdwkavylpapv
    gpatwqlydlardpgeihdladsqpgklaeliehwkryvsdtgvvegaspflvr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4cysB (B:)
    mskrpnflvivaddlgfsdigafggeiatpnldalaiaglrltdfhtasaxsptrsmllt
    gtdhhiagigtvaealtpelegkpgyeghlnervvalpellreagyqtlmagkwhlglkp
    eqtphargfersfsllpgaanhygfeppydestprilkgtpalyvederyldtlpegfys
    sdafgdkllqylkerdqsrpffaylpfsaphwplqapreivekyrgrydagpealrqerl
    arlkelglveadveahpvlaltrewealedeeraksaramevyaamvermdwnigrvvdy
    lrrqgeldntfvlfmsdngaegalleafpkfgpdlldfldrhydnslenigsansyvwyg
    prwaqaatapsrlykafttqggirvpalvryprlsrqgaishafatvmdvtptlldlagv
    rhpgkrwrgreiaeprgrswlgwlsgeteaahdentvtgwglfgmrairqgdwkavylpa
    pvgpatwqlydlardpgeihdladsqpgklaeliehwkryvsdtgvvegaspflvr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4cysB (B:)
    krpnflvivaddlgfsdigafggeiatpnldalaiaglrltdfhtasaxsptrsmlltgt
    dhhiagigtvaealtpelegkpgyeghlnervvalpellreagyqtlmagkwhlglkpeq
    tphargfersfsllpgaanhygfeppydestprilkgtpalyvederyldtlpegfyssd
    afgdkllqylkerdqsrpffaylpfsaphwplqapreivekyrgrydagpealrqerlar
    lkelglveadveahpvlaltrewealedeeraksaramevyaamvermdwnigrvvdylr
    rqgeldntfvlfmsdngaegalleafpkfgpdlldfldrhydnslenigsansyvwygpr
    waqaatapsrlykafttqggirvpalvryprlsrqgaishafatvmdvtptlldlagvrh
    pgkrwrgreiaeprgrswlgwlsgeteaahdentvtgwglfgmrairqgdwkavylpapv
    gpatwqlydlardpgeihdladsqpgklaeliehwkryvsdtgvvegaspflvr