PDB entry 4qs5

View 4qs5 on RCSB PDB site
Description: CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND MANGANESE AND 3-methoxy-4-hydroxy-5-nitrobenzoic acid, THE D314N MUTANT
Class: hydrolase/hydrolase inhibitor
Keywords: AMIDOHYDROLASE, METAL BINDING SITE, DECARBOXYLASE, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2014-07-02, released 2014-08-06
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-08-06, with a file datestamp of 2014-08-01.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.157
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Ligw2 Decarboxylase
    Species: Novosphingobium aromaticivorans [TaxId:279238]
    Gene: SARO_0799
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q2GA79 (Start-372)
      • engineered mutation (335)
    Domains in SCOPe 2.06: d4qs5a_
  • Chain 'B':
    Compound: Ligw2 Decarboxylase
    Species: Novosphingobium aromaticivorans [TaxId:279238]
    Gene: SARO_0799
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q2GA79 (Start-372)
      • engineered mutation (335)
    Domains in SCOPe 2.06: d4qs5b_
  • Chain 'C':
    Compound: Ligw2 Decarboxylase
    Species: Novosphingobium aromaticivorans [TaxId:279238]
    Gene: SARO_0799
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q2GA79 (Start-372)
      • engineered mutation (335)
    Domains in SCOPe 2.06: d4qs5c_
  • Chain 'D':
    Compound: Ligw2 Decarboxylase
    Species: Novosphingobium aromaticivorans [TaxId:279238]
    Gene: SARO_0799
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q2GA79 (Start-372)
      • engineered mutation (335)
    Domains in SCOPe 2.06: d4qs5d_
  • Heterogens: MN, 1DF, GOL, CL, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4qs5A (A:)
mhhhhhhssgvdlgtenlyfqsmtqdlktggeqgylriateeafatreiidvylrmirdg
tadkgmvslwgfyaqspseratqilerlldlgerriadmdatgidkailaltspgvqplh
dldeartlatrandtladacqkypdrfigmgtvapqdpewsareihrgarelgfkgiqin
shtqgryldeeffdpifralvevdqplyihpatspdsmidpmleagldgaifgfgvetgm
hllrlitigifdkypslqimvghmgealpywlyrldymhqagvrsqryermkplkktieg
ylksnvlvtnsgvawepaikfcqqvmgedrvmyamnypyqyvadevramdamdmsaqtkk
kffqtnaekwfkl

    Sequence, based on observed residues (ATOM records): (download) 
    >4qs5A (A:)
qdlktggeqgylriateeafatreiidvylrmirdgtadkgmvslwgfyaqspseratqi
lerlldlgerriadmdatgidkailaltspgvqplhdldeartlatrandtladacqkyp
drfigmgtvapqdpewsareihrgarelgfkgiqinshtqgryldeeffdpifralvevd
qplyihpatspdsmidpmleagldgaifgfgvetgmhllrlitigifdkypslqimvghm
gealpywlyrldymhqagvrsqryermkplkktiegylksnvlvtnsgvawepaikfcqq
vmgedrvmyamnypyqyvadevramdamdmsaqtkkkffqtnaekwfkl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4qs5B (B:)
mhhhhhhssgvdlgtenlyfqsmtqdlktggeqgylriateeafatreiidvylrmirdg
tadkgmvslwgfyaqspseratqilerlldlgerriadmdatgidkailaltspgvqplh
dldeartlatrandtladacqkypdrfigmgtvapqdpewsareihrgarelgfkgiqin
shtqgryldeeffdpifralvevdqplyihpatspdsmidpmleagldgaifgfgvetgm
hllrlitigifdkypslqimvghmgealpywlyrldymhqagvrsqryermkplkktieg
ylksnvlvtnsgvawepaikfcqqvmgedrvmyamnypyqyvadevramdamdmsaqtkk
kffqtnaekwfkl

    Sequence, based on observed residues (ATOM records): (download) 
    >4qs5B (B:)
qdlktggeqgylriateeafatreiidvylrmirdgtadkgmvslwgfyaqspseratqi
lerlldlgerriadmdatgidkailaltspgvqplhdldeartlatrandtladacqkyp
drfigmgtvapqdpewsareihrgarelgfkgiqinshtqgryldeeffdpifralvevd
qplyihpatspdsmidpmleagldgaifgfgvetgmhllrlitigifdkypslqimvghm
gealpywlyrldymhqagvrsqryermkplkktiegylksnvlvtnsgvawepaikfcqq
vmgedrvmyamnypyqyvadevramdamdmsaqtkkkffqtnaekwfkl

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4qs5C (C:)
mhhhhhhssgvdlgtenlyfqsmtqdlktggeqgylriateeafatreiidvylrmirdg
tadkgmvslwgfyaqspseratqilerlldlgerriadmdatgidkailaltspgvqplh
dldeartlatrandtladacqkypdrfigmgtvapqdpewsareihrgarelgfkgiqin
shtqgryldeeffdpifralvevdqplyihpatspdsmidpmleagldgaifgfgvetgm
hllrlitigifdkypslqimvghmgealpywlyrldymhqagvrsqryermkplkktieg
ylksnvlvtnsgvawepaikfcqqvmgedrvmyamnypyqyvadevramdamdmsaqtkk
kffqtnaekwfkl

    Sequence, based on observed residues (ATOM records): (download) 
    >4qs5C (C:)
dlktggeqgylriateeafatreiidvylrmirdgtadkgmvslwgfyaqspseratqil
erlldlgerriadmdatgidkailaltspgvqplhdldeartlatrandtladacqkypd
rfigmgtvapqdpewsareihrgarelgfkgiqinshtqgryldeeffdpifralvevdq
plyihpatspdsmidpmleagldgaifgfgvetgmhllrlitigifdkypslqimvghmg
ealpywlyrldymhqagvrsqryermkplkktiegylksnvlvtnsgvawepaikfcqqv
mgedrvmyamnypyqyvadevramdamdmsaqtkkkffqtnaekwfkl

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4qs5D (D:)
mhhhhhhssgvdlgtenlyfqsmtqdlktggeqgylriateeafatreiidvylrmirdg
tadkgmvslwgfyaqspseratqilerlldlgerriadmdatgidkailaltspgvqplh
dldeartlatrandtladacqkypdrfigmgtvapqdpewsareihrgarelgfkgiqin
shtqgryldeeffdpifralvevdqplyihpatspdsmidpmleagldgaifgfgvetgm
hllrlitigifdkypslqimvghmgealpywlyrldymhqagvrsqryermkplkktieg
ylksnvlvtnsgvawepaikfcqqvmgedrvmyamnypyqyvadevramdamdmsaqtkk
kffqtnaekwfkl

    Sequence, based on observed residues (ATOM records): (download) 
    >4qs5D (D:)
dlktggeqgylriateeafatreiidvylrmirdgtadkgmvslwgfyaqspseratqil
erlldlgerriadmdatgidkailaltspgvqplhdldeartlatrandtladacqkypd
rfigmgtvapqdpewsareihrgarelgfkgiqinshtqgryldeeffdpifralvevdq
plyihpatspdsmidpmleagldgaifgfgvetgmhllrlitigifdkypslqimvghmg
ealpywlyrldymhqagvrsqryermkplkktiegylksnvlvtnsgvawepaikfcqqv
mgedrvmyamnypyqyvadevramdamdmsaqtkkkffqtnaekwfkl