PDB entry 3c8d

View 3c8d on RCSB PDB site
Description: Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence of 2,3-Di-hydroxy-N-benzoyl-glycine
Class: hydrolase
Keywords: alpha-beta-alpha sandwich, IroD, Iron aquisition, Structural Genomics, PSI-2, Protein Structure Initiative, Midwest Center for Structural Genomics, MCSG, HYDROLASE
Deposited on 2008-02-11, released 2008-02-26
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-06-09, with a file datestamp of 2009-06-05.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.15
AEROSPACI score: 0.52 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: enterochelin esterase
    Species: Shigella flexneri [TaxId:198215]
    Gene: fes, S0503, SF0497
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3c8da1, d3c8da2
  • Chain 'B':
    Compound: enterochelin esterase
    Species: Shigella flexneri [TaxId:198215]
    Gene: fes, S0503, SF0497
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3c8db1, d3c8db2
  • Chain 'C':
    Compound: enterochelin esterase
    Species: Shigella flexneri [TaxId:198215]
    Gene: fes, S0503, SF0497
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3c8dc1, d3c8dc2
  • Chain 'D':
    Compound: enterochelin esterase
    Species: Shigella flexneri [TaxId:198215]
    Gene: fes, S0503, SF0497
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3c8dd1, d3c8dd2
  • Heterogens: CIT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3c8dA (A:)
snamtalkvgseswwqskhgpewqrlndemfevtfwwrdpqgseeystikrvwvyitgvt
dhhqnsqpqsmqriagtdvwqwttqlnanwrgsycfipterddifsapspdrlelregwr
kllpqaiadplnpqswkgglghavsalempqaplqpgwdcpqapeipakeiiwkserlkn
srrvwifttgdvtaeerplavlldgefwaqsmpvwpvltslthrqqlppavyvlidaidt
thrahelpcnadfwlavqqellplvkviapfsdradrtvvagqsfgglsalyaglhwper
fgcvlsqsgsywwphrggqqegvlleklkagevsaeglrivleagirepmimranqalya
qlhpikesifwrqvdgghdalcwrgglmqglidlwqplfhdrs

    Sequence, based on observed residues (ATOM records): (download) 
    >3c8dA (A:)
vgseswwqskhgpewqrlndemfevtfwwrdpqgseeystikrvwvyitgvtpqsmqria
gtdvwqwttqlnanwrgsycfipterddifsapdrlelregwrkllpqaiadplnpqswk
gglghavsalempqaplqpgwdcpqapeipakeiiwkserlknsrrvwiftteerplavl
ldgefwaqsmpvwpvltslthrqqlppavyvlidaidtthrahelpcnadfwlavqqell
plvkviapfsdradrtvvagqsfgglsalyaglhwperfgcvlsqsgsywwphrggqqeg
vlleklkagevsaeglrivleagirepmimranqalyaqlhpikesifwrqvdgghdalc
wrgglmqglidlwqplfh

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3c8dB (B:)
snamtalkvgseswwqskhgpewqrlndemfevtfwwrdpqgseeystikrvwvyitgvt
dhhqnsqpqsmqriagtdvwqwttqlnanwrgsycfipterddifsapspdrlelregwr
kllpqaiadplnpqswkgglghavsalempqaplqpgwdcpqapeipakeiiwkserlkn
srrvwifttgdvtaeerplavlldgefwaqsmpvwpvltslthrqqlppavyvlidaidt
thrahelpcnadfwlavqqellplvkviapfsdradrtvvagqsfgglsalyaglhwper
fgcvlsqsgsywwphrggqqegvlleklkagevsaeglrivleagirepmimranqalya
qlhpikesifwrqvdgghdalcwrgglmqglidlwqplfhdrs

    Sequence, based on observed residues (ATOM records): (download) 
    >3c8dB (B:)
gseswwqskhgpewqrlndemfevtfwwrdpqgseeystikrvwvyitgvtdpqsmqria
gtdvwqwttqlnanwrgsycfipterddifsapspdrlelregwrkllpqaiadplnpqs
wklghavsalempqaplqpgwdcpqapeipakeiiwkserlknsrrvwifttgerplavl
ldgefwaqsmpvwpvltslthrqqlppavyvlidaidtthrahelpcnadfwlavqqell
plvkviapfsdradrtvvagqsfgglsalyaglhwperfgcvlsqsgsywwphrggqqeg
vlleklkagevsaeglrivleagirepmimranqalyaqlhpikesifwrqvdgghdalc
wrgglmqglidlwqplfhd

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3c8dC (C:)
snamtalkvgseswwqskhgpewqrlndemfevtfwwrdpqgseeystikrvwvyitgvt
dhhqnsqpqsmqriagtdvwqwttqlnanwrgsycfipterddifsapspdrlelregwr
kllpqaiadplnpqswkgglghavsalempqaplqpgwdcpqapeipakeiiwkserlkn
srrvwifttgdvtaeerplavlldgefwaqsmpvwpvltslthrqqlppavyvlidaidt
thrahelpcnadfwlavqqellplvkviapfsdradrtvvagqsfgglsalyaglhwper
fgcvlsqsgsywwphrggqqegvlleklkagevsaeglrivleagirepmimranqalya
qlhpikesifwrqvdgghdalcwrgglmqglidlwqplfhdrs

    Sequence, based on observed residues (ATOM records): (download) 
    >3c8dC (C:)
vgseswwqskhgpewqrlndemfevtfwwrdpqgseeystikrvwvyitgvtpqsmqria
gtdvwqwttqlnanwrgsycfipterddifsapspdrlelregwrkllpqaiadplnpqs
wkgglghavsalempqaplqpgwdcpqapeipakeiiwkserlknsrrvwifttgerpla
vlldgefwaqsmpvwpvltslthrqqlppavyvlidaidtthrahelpcnadfwlavqqe
llplvkviapfsdradrtvvagqsfgglsalyaglhwperfgcvlsqsgsywwphrggqq
egvlleklkagevsaeglrivleagirepmimranqalyaqlhpikesifwrqvdgghda
lcwrgglmqglidlwqplf

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3c8dD (D:)
snamtalkvgseswwqskhgpewqrlndemfevtfwwrdpqgseeystikrvwvyitgvt
dhhqnsqpqsmqriagtdvwqwttqlnanwrgsycfipterddifsapspdrlelregwr
kllpqaiadplnpqswkgglghavsalempqaplqpgwdcpqapeipakeiiwkserlkn
srrvwifttgdvtaeerplavlldgefwaqsmpvwpvltslthrqqlppavyvlidaidt
thrahelpcnadfwlavqqellplvkviapfsdradrtvvagqsfgglsalyaglhwper
fgcvlsqsgsywwphrggqqegvlleklkagevsaeglrivleagirepmimranqalya
qlhpikesifwrqvdgghdalcwrgglmqglidlwqplfhdrs

    Sequence, based on observed residues (ATOM records): (download) 
    >3c8dD (D:)
vgseswwqskhgpewqrlndemfevtfwwrdpqgseeystikrvwvyitgvtdsqpqsmq
riagtdvwqwttqlnanwrgsycfipterddifsapdrlelregwrkllpqaiadplnpq
swkglghavsalempqaplqpgwdcpqapeipakeiiwkserlknsrrvwiftterplav
lldgefwaqsmpvwpvltslthrqqlppavyvlidaidtthrahelpcnadfwlavqqel
lplvkviapfsdradrtvvagqsfgglsalyaglhwperfgcvlsqsgsywwphrggqqe
gvlleklkagevsaeglrivleagirepmimranqalyaqlhpikesifwrqvdgghdal
cwrgglmqglidlwqplf