PDB entry 5clo

View 5clo on RCSB PDB site
Description: Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom
Class: isomerase
Keywords: 4-Oxalocrotonate tautomerase, beta-alpha-beta structural motif, tautomerase superfamily, isomerase
Deposited on 2015-07-16, released 2016-03-09
The last revision prior to the SCOPe 2.08 freeze date was dated 2016-03-16, with a file datestamp of 2016-03-11.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5cloa_
  • Chain 'B':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5clob_
  • Chain 'C':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5cloc_
  • Chain 'D':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5clod_
  • Chain 'E':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5cloe_
  • Chain 'F':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5clof_
  • Chain 'G':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5clog_
  • Chain 'H':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5cloh_
  • Chain 'I':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5cloi_
  • Chain 'J':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5cloj_
  • Chain 'K':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5clok_
  • Chain 'L':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-58)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5clol_
  • Chain 'M':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5clom_
  • Chain 'N':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5clon_
  • Chain 'O':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5cloo_
  • Chain 'P':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5clop_
  • Chain 'Q':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5cloq_
  • Chain 'R':
    Compound: 2-hydroxymuconate tautomerase
    Species: Pseudomonas putida [TaxId:303]
    Gene: XYLH
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q01468 (0-End)
      • engineered mutation (44)
      • engineered mutation (49)
    Domains in SCOPe 2.08: d5clor_
  • Heterogens: NS8, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5cloA (A:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloA (A:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5cloB (B:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloB (B:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5cloC (C:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloC (C:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagigg

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >5cloD (D:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloD (D:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >5cloE (E:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloE (E:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >5cloF (F:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloF (F:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'G':
    Sequence, based on SEQRES records: (download) 
    >5cloG (G:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloG (G:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'H':
    Sequence, based on SEQRES records: (download) 
    >5cloH (H:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloH (H:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'I':
    Sequence, based on SEQRES records: (download) 
    >5cloI (I:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloI (I:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'J':
    Sequence, based on SEQRES records: (download) 
    >5cloJ (J:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloJ (J:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelas

  • Chain 'K':
    Sequence, based on SEQRES records: (download) 
    >5cloK (K:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloK (K:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'L':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >5cloL (L:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

  • Chain 'M':
    Sequence, based on SEQRES records: (download) 
    >5cloM (M:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloM (M:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'N':
    Sequence, based on SEQRES records: (download) 
    >5cloN (N:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloN (N:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'O':
    Sequence, based on SEQRES records: (download) 
    >5cloO (O:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloO (O:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'P':
    Sequence, based on SEQRES records: (download) 
    >5cloP (P:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloP (P:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela

  • Chain 'Q':
    Sequence, based on SEQRES records: (download) 
    >5cloQ (Q:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloQ (Q:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggel

  • Chain 'R':
    Sequence, based on SEQRES records: (download) 
    >5cloR (R:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggelask

    Sequence, based on observed residues (ATOM records): (download) 
    >5cloR (R:)
piaqihilegrsdeqketlirevseaisrsldapltsvrviiteyakghagiggela