PDB entry 4rx2

View 4rx2 on RCSB PDB site
Description: A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis
Class: hydrolase
Keywords: globular, beta-lactamase, hydrolase
Deposited on 2014-12-08, released 2015-03-04
The last revision prior to the SCOPe 2.05 freeze date was dated 2015-03-11, with a file datestamp of 2015-03-06.
Experiment type: XRAY
Resolution: 2.31 Å
R-factor: N/A
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-lactamase TEM
    Species: Escherichia coli [TaxId:562]
    Gene: bla, blaT-3, blaT-4, blaT-5, blaT-6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62593 (0-262)
      • engineered mutation (139-140)
      • engineered mutation (156)
    Domains in SCOPe 2.05: d4rx2a_
  • Chain 'B':
    Compound: Beta-lactamase TEM
    Species: Escherichia coli [TaxId:562]
    Gene: bla, blaT-3, blaT-4, blaT-5, blaT-6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62593 (0-262)
      • engineered mutation (139-141)
      • engineered mutation (156)
    Domains in SCOPe 2.05: d4rx2b_
  • Chain 'C':
    Compound: Beta-lactamase TEM
    Species: Escherichia coli [TaxId:562]
    Gene: bla, blaT-3, blaT-4, blaT-5, blaT-6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62593 (0-262)
      • engineered mutation (139-141)
      • engineered mutation (156)
    Domains in SCOPe 2.05: d4rx2c_
  • Chain 'D':
    Compound: Beta-lactamase TEM
    Species: Escherichia coli [TaxId:562]
    Gene: bla, blaT-3, blaT-4, blaT-5, blaT-6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62593 (0-262)
      • engineered mutation (139-141)
      • engineered mutation (156)
    Domains in SCOPe 2.05: d4rx2d_
  • Chain 'E':
    Compound: Beta-lactamase TEM
    Species: Escherichia coli [TaxId:562]
    Gene: bla, blaT-3, blaT-4, blaT-5, blaT-6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62593 (0-262)
      • engineered mutation (139-140)
      • engineered mutation (156)
    Domains in SCOPe 2.05: d4rx2e_
  • Chain 'F':
    Compound: Beta-lactamase TEM
    Species: Escherichia coli [TaxId:562]
    Gene: bla, blaT-3, blaT-4, blaT-5, blaT-6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62593 (0-262)
      • engineered mutation (139-140)
      • engineered mutation (156)
    Domains in SCOPe 2.05: d4rx2f_
  • Chain 'G':
    Compound: Beta-lactamase TEM
    Species: Escherichia coli [TaxId:562]
    Gene: bla, blaT-3, blaT-4, blaT-5, blaT-6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62593 (0-262)
      • engineered mutation (139-140)
      • engineered mutation (156)
    Domains in SCOPe 2.05: d4rx2g_
  • Chain 'H':
    Compound: Beta-lactamase TEM
    Species: Escherichia coli [TaxId:562]
    Gene: bla, blaT-3, blaT-4, blaT-5, blaT-6
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62593 (0-262)
      • engineered mutation (139-140)
      • engineered mutation (156)
    Domains in SCOPe 2.05: d4rx2h_
  • Heterogens: SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4rx2A (A:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryygelneaipnderdtttpaamattlrklltgelltlasrq
    qlidwmeadkvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttg
    sqatmdernrqiaeigaslikhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >4rx2A (A:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryynderdtttpaamattlrklltgelltlasrqqlidwmea
    dkvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttgsqatmder
    nrqiaeigaslikhw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4rx2B (B:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryygelneaipnderdtttpaamattlrklltgelltlasrq
    qlidwmeadkvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttg
    sqatmdernrqiaeigaslikhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >4rx2B (B:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryygnderdtttpaamattlrklltgelltlasrqqlidwme
    adkvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttgsqatmde
    rnrqiaeigaslikhw
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4rx2C (C:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryygelneaipnderdtttpaamattlrklltgelltlasrq
    qlidwmeadkvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttg
    sqatmdernrqiaeigaslikhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >4rx2C (C:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryygipnderdtttpaamattlrklltgelltlasrqqlidw
    meadkvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttgsqatm
    dernrqiaeigaslikhw
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4rx2D (D:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryygelneaipnderdtttpaamattlrklltgelltlasrq
    qlidwmeadkvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttg
    sqatmdernrqiaeigaslikhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >4rx2D (D:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryygnderdtttpaamattlrklltgelltlasrqqlidwme
    adkvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttgsqatmde
    rnrqiaeigaslikhw
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4rx2E (E:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryygelneaipnderdtttpaamattlrklltgelltlasrq
    qlidwmeadkvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttg
    sqatmdernrqiaeigaslikhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >4rx2E (E:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesrpeerfpmmstfkvllcgavlsrvda
    qeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggpke
    ltaflhnmgdhvtrldryyderdtttpaamattlrklltgelltlasrqqlidwmeadkv
    agpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttgsqatmdernrq
    iaeigaslikhw
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4rx2F (F:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryygelneaipnderdtttpaamattlrklltgelltlasrq
    qlidwmeadkvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttg
    sqatmdernrqiaeigaslikhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >4rx2F (F:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryyderdtttpaamattlrklltgelltlasrqqlidwmead
    kvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttgsqatmdern
    rqiaeigaslikhw
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4rx2G (G:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryygelneaipnderdtttpaamattlrklltgelltlasrq
    qlidwmeadkvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttg
    sqatmdernrqiaeigaslikhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >4rx2G (G:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilsfrpeerfpmmstfkvllcgavlsrvda
    gqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggpk
    eltaflhnmgdhvtrldryyerdtttpaamattlrklltgelltlasrqqlidwmeadkv
    agpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttgsqatmdernrq
    iaeigaslikhw
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4rx2H (H:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryygelneaipnderdtttpaamattlrklltgelltlasrq
    qlidwmeadkvagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttg
    sqatmdernrqiaeigaslikhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >4rx2H (H:)
    hpetlvkvkdaedqlgarvgyieldlnsgkilesfrpeerfpmmstfkvllcgavlsrvd
    agqeqlgrrihysqndlveyspvtekhltdgmtvrelcsaaitmsdntaanlllttiggp
    keltaflhnmgdhvtrldryyerdtttpaamattlrklltgelltlasrqqlidwmeadk
    vagpllrsalpagwfiadksgagergsrgiiaalgpdgkpsrivviyttgsqatmdernr
    qiaeigaslikhw