PDB entry 4b4z

View 4b4z on RCSB PDB site
Description: Crystal structure of a complex between Actinomadura R39 DD-peptidase and a sulfonamide boronate inhibitor
Class: hydrolase
Keywords: hydrolase, boronic acid, peptidoglycan
Deposited on 2012-08-02, released 2013-08-21
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-08-21, with a file datestamp of 2013-08-16.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.209
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: d-alanyl-d-alanine carboxypeptidase
    Species: ACTINOMADURA SP. R39 [TaxId:72570]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4b4za_
  • Chain 'B':
    Compound: d-alanyl-d-alanine carboxypeptidase
    Species: ACTINOMADURA SP. R39 [TaxId:72570]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4b4zb_
  • Chain 'C':
    Compound: d-alanyl-d-alanine carboxypeptidase
    Species: ACTINOMADURA SP. R39 [TaxId:72570]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4b4zc_
  • Chain 'D':
    Compound: d-alanyl-d-alanine carboxypeptidase
    Species: ACTINOMADURA SP. R39 [TaxId:72570]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4b4zd_
  • Heterogens: BSF, MG, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4b4zA (A:)
rltelredidailedpalegavsgvvvvdtatgeelysrdggeqllpasnmklftaaaal
evlgadhsfgtevaaesapgrrgevqdlylvgrgdptlsaedldamaaevaasgvrtvrg
dlyaddtwfdserlvddwwpedepyaysaqisaltvahgerfdtgvtevsvtpaaegepa
dvdlgaaegyaeldnravtgaagsantlvidrpvgtntiavtgslpadaapvtalrtvde
paalaghlfeealesngvtvkgdvglggvpadwqdaevladhtsaelseilvpfmkfsnn
ghaemlvksigqetagagtwdaglvgveealsglgvdtaglvlndgsglsrgnlvtadtv
vdllgqagsapwaqtwsaslpvagesdpfvggtlanrmrgtaaegvveaktgtmsgvsal
sgyvpgpegelafsivnnghsgpaplavqdaiavrlaeyaghqape

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4b4zB (B:)
rltelredidailedpalegavsgvvvvdtatgeelysrdggeqllpasnmklftaaaal
evlgadhsfgtevaaesapgrrgevqdlylvgrgdptlsaedldamaaevaasgvrtvrg
dlyaddtwfdserlvddwwpedepyaysaqisaltvahgerfdtgvtevsvtpaaegepa
dvdlgaaegyaeldnravtgaagsantlvidrpvgtntiavtgslpadaapvtalrtvde
paalaghlfeealesngvtvkgdvglggvpadwqdaevladhtsaelseilvpfmkfsnn
ghaemlvksigqetagagtwdaglvgveealsglgvdtaglvlndgsglsrgnlvtadtv
vdllgqagsapwaqtwsaslpvagesdpfvggtlanrmrgtaaegvveaktgtmsgvsal
sgyvpgpegelafsivnnghsgpaplavqdaiavrlaeyaghqape

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4b4zC (C:)
rltelredidailedpalegavsgvvvvdtatgeelysrdggeqllpasnmklftaaaal
evlgadhsfgtevaaesapgrrgevqdlylvgrgdptlsaedldamaaevaasgvrtvrg
dlyaddtwfdserlvddwwpedepyaysaqisaltvahgerfdtgvtevsvtpaaegepa
dvdlgaaegyaeldnravtgaagsantlvidrpvgtntiavtgslpadaapvtalrtvde
paalaghlfeealesngvtvkgdvglggvpadwqdaevladhtsaelseilvpfmkfsnn
ghaemlvksigqetagagtwdaglvgveealsglgvdtaglvlndgsglsrgnlvtadtv
vdllgqagsapwaqtwsaslpvagesdpfvggtlanrmrgtaaegvveaktgtmsgvsal
sgyvpgpegelafsivnnghsgpaplavqdaiavrlaeyaghqape

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4b4zD (D:)
rltelredidailedpalegavsgvvvvdtatgeelysrdggeqllpasnmklftaaaal
evlgadhsfgtevaaesapgrrgevqdlylvgrgdptlsaedldamaaevaasgvrtvrg
dlyaddtwfdserlvddwwpedepyaysaqisaltvahgerfdtgvtevsvtpaaegepa
dvdlgaaegyaeldnravtgaagsantlvidrpvgtntiavtgslpadaapvtalrtvde
paalaghlfeealesngvtvkgdvglggvpadwqdaevladhtsaelseilvpfmkfsnn
ghaemlvksigqetagagtwdaglvgveealsglgvdtaglvlndgsglsrgnlvtadtv
vdllgqagsapwaqtwsaslpvagesdpfvggtlanrmrgtaaegvveaktgtmsgvsal
sgyvpgpegelafsivnnghsgpaplavqdaiavrlaeyaghqape

    Sequence, based on observed residues (ATOM records): (download) 
    >4b4zD (D:)
redidailedpalegavsgvvvvdtatgeelysrdggeqllpasnmklftaaaalevlga
dhsfgtevaaesapgrrgevqdlylvgrgdptlsaedldamaaevaasgvrtvrgdlyad
dtwfdserlvddwwpedepyaysaqisaltvahgerfdtgvtevsvtpaaegepadvdlg
aaegyaeldnravtgaagsantlvidrpvgtntiavtgslpadaapvtalrtvdepaala
ghlfeealesngvtvkgdvglggvpadwqdaevladhtsaelseilvpfmkfsnnghaem
lvksigqetagagtwdaglvgveealsglgvdtaglvlndgsglsrgnlvtadtvvdllg
qagsapwaqtwsaslpvagesdpfvggtlanrmrgtaaegvveaktgtmsgvsalsgyvp
gpegelafsivnnghsgpaplavqdaiavrlaeyaghqape