PDB entry 3itb

View 3itb on RCSB PDB site
Description: Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in complex with a substrate fragment
Class: hydrolase
Keywords: Penicillin-Binding Protein, PBP6, DD-carboxypeptidase, peptidoglycan, substrate fragment, Carboxypeptidase, Cell inner membrane, Cell membrane, Cell shape, Cell wall biogenesis/degradation, Hydrolase, Membrane, Peptidoglycan synthesis, Protease
Deposited on 2009-08-27, released 2009-10-20
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-27, with a file datestamp of 2011-07-22.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.207
AEROSPACI score: 0.47 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: D-alanyl-D-alanine carboxypeptidase dacC
    Species: Escherichia coli [TaxId:562]
    Gene: b0839, dacC, JW0823
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3itba1, d3itba2
  • Chain 'B':
    Compound: D-alanyl-D-alanine carboxypeptidase dacC
    Species: Escherichia coli [TaxId:562]
    Gene: b0839, dacC, JW0823
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3itbb1, d3itbb2
  • Chain 'C':
    Compound: D-alanyl-D-alanine carboxypeptidase dacC
    Species: Escherichia coli [TaxId:562]
    Gene: b0839, dacC, JW0823
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3itbc1, d3itbc2
  • Chain 'D':
    Compound: D-alanyl-D-alanine carboxypeptidase dacC
    Species: Escherichia coli [TaxId:562]
    Gene: b0839, dacC, JW0823
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3itbd1, d3itbd2
  • Chain 'L':
    Compound: Peptidoglycan substrate (AMV)A(FGA)K(DAL)(DAL)
    Database cross-references and differences (RAF-indexed):
    • PDB 3ITB (0-5)
  • Heterogens: SO4, SUC, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3itbA (A:)
maeqtveapsvdarawilmdyasgkvlaegnadekldpasltkimtsyvvgqalkadkik
ltdmvtvgkdawatgnpalrgssvmflkpgdqvsvadlnkgviiqsgndacialadyvag
sqesfiglmngyakklgltnttfqtvhgldapgqfstardmallgkalihdvpeeyaihk
ekeftfnkirqpnrnrllwssnlnvdgmktgttagagynlvasatqgdmrlisvvlgakt
drirfneseklltwgfrffetvtpikpdatfvtqrvwfgdksevnlgageagsvtiprgq
lknlkasytltepqltaplkkgqvvgtidfqlngksieqrplivmenveegg

    Sequence, based on observed residues (ATOM records): (download) 
    >3itbA (A:)
tveapsvdarawilmdyasgkvlaegnadekldpasltkimtsyvvgqalkadkikltdm
vtvgkdawatgnpalrgssvmflkpgdqvsvadlnkgviiqsgndacialadyvagsqes
figlmngyakklgltnttfqtvhgldapgqfstardmallgkalihdvpeeyaihkekef
tfnkirqpnrnrllwssnlnvdgmktgttagagynlvasatqgdmrlisvvlgaktdrir
fneseklltwgfrffetvtpikpdatfvtqrvwfgdksevnlgageagsvtiprgqlknl
kasytltepqltaplkkgqvvgtidfqlnieqrplivmenveegg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3itbB (B:)
maeqtveapsvdarawilmdyasgkvlaegnadekldpasltkimtsyvvgqalkadkik
ltdmvtvgkdawatgnpalrgssvmflkpgdqvsvadlnkgviiqsgndacialadyvag
sqesfiglmngyakklgltnttfqtvhgldapgqfstardmallgkalihdvpeeyaihk
ekeftfnkirqpnrnrllwssnlnvdgmktgttagagynlvasatqgdmrlisvvlgakt
drirfneseklltwgfrffetvtpikpdatfvtqrvwfgdksevnlgageagsvtiprgq
lknlkasytltepqltaplkkgqvvgtidfqlngksieqrplivmenveegg

    Sequence, based on observed residues (ATOM records): (download) 
    >3itbB (B:)
eapsvdarawilmdyasgkvlaegnadekldpasltkimtsyvvgqalkadkikltdmvt
vgkdawatgnpalrgssvmflkpgdqvsvadlnkgviiqsgndacialadyvagsqesfi
glmngyakklgltnttfqtvhgldapgqfstardmallgkalihdvpeeyaihkekeftf
nkirqpnrnrllwssnlnvdgmktgttagagynlvasatqgdmrlisvvlgaktdrirfn
eseklltwgfrffetvtpikpdatfvtqrvwfgdksevnlgageagsvtiprgqlknlka
sytltepqltaplkkgqvvgtidfqlngksieqrplivmenveegg

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3itbC (C:)
maeqtveapsvdarawilmdyasgkvlaegnadekldpasltkimtsyvvgqalkadkik
ltdmvtvgkdawatgnpalrgssvmflkpgdqvsvadlnkgviiqsgndacialadyvag
sqesfiglmngyakklgltnttfqtvhgldapgqfstardmallgkalihdvpeeyaihk
ekeftfnkirqpnrnrllwssnlnvdgmktgttagagynlvasatqgdmrlisvvlgakt
drirfneseklltwgfrffetvtpikpdatfvtqrvwfgdksevnlgageagsvtiprgq
lknlkasytltepqltaplkkgqvvgtidfqlngksieqrplivmenveegg

    Sequence, based on observed residues (ATOM records): (download) 
    >3itbC (C:)
veapsvdarawilmdyasgkvlaegnadekldpasltkimtsyvvgqalkadkikltdmv
tvgkdawatgnpalrgssvmflkpgdqvsvadlnkgviiqsgndacialadyvagsqesf
iglmngyakklgltnttfqtvhgldapgqfstardmallgkalihdvpeeyaihkekeft
fnkirqpnrnrllwssnlnvdgmktgttagagynlvasatqgdmrlisvvlgaktdrirf
neseklltwgfrffetvtpikpdatfvtqrvwfgdksevnlgageagsvtiprgqlknlk
asytltepqltaplkkgqvvgtidfqlngksieqrplivmenveegg

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3itbD (D:)
maeqtveapsvdarawilmdyasgkvlaegnadekldpasltkimtsyvvgqalkadkik
ltdmvtvgkdawatgnpalrgssvmflkpgdqvsvadlnkgviiqsgndacialadyvag
sqesfiglmngyakklgltnttfqtvhgldapgqfstardmallgkalihdvpeeyaihk
ekeftfnkirqpnrnrllwssnlnvdgmktgttagagynlvasatqgdmrlisvvlgakt
drirfneseklltwgfrffetvtpikpdatfvtqrvwfgdksevnlgageagsvtiprgq
lknlkasytltepqltaplkkgqvvgtidfqlngksieqrplivmenveegg

    Sequence, based on observed residues (ATOM records): (download) 
    >3itbD (D:)
aeqtveapsvdarawilmdyasgkvlaegnadekldpasltkimtsyvvgqalkadkikl
tdmvtvgkdawatgnpalrgssvmflkpgdqvsvadlnkgviiqsgndacialadyvags
qesfiglmngyakklgltnttfqtvhgldapgqfstardmallgkalihdvpeeyaihke
keftfnkirqpnrnrllwssnlnvdgmktgttagagynlvasatqgdmrlisvvlgaktd
rirfneseklltwgfrffetvtpikpdatfvtqrvwfgdksevnlgageagsvtiprgql
knlkasytltepqltaplkkgqvvgtidfqlngksieqrplivmenveegg

  • Chain 'L':
    No sequence available.