PDB entry 4rlf

View 4rlf on RCSB PDB site
Description: Crystal structure of a benzoate coenzyme A ligase with p-Toluic acid and o-Toluic acid
Class: ligase
Keywords: Substrate Specificity, Kinetics, LIGASE
Deposited on 2014-10-16, released 2015-09-30
The last revision prior to the SCOPe 2.07 freeze date was dated 2015-11-11, with a file datestamp of 2015-11-06.
Experiment type: XRAY
Resolution: 1.73 Å
R-factor: N/A
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: benzoate-coenzyme a ligase
    Species: Rhodopseudomonas palustris [TaxId:1076]
    Gene: badA
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q93TK0 (0-End)
      • conflict (77)
      • conflict (335)
    Domains in SCOPe 2.07: d4rlfa_
  • Chain 'B':
    Compound: benzoate-coenzyme a ligase
    Species: Rhodopseudomonas palustris [TaxId:1076]
    Gene: badA
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q93TK0 (0-517)
      • conflict (77)
      • conflict (335)
      • expression tag (518)
    Domains in SCOPe 2.07: d4rlfb1, d4rlfb2
  • Heterogens: 3SK, 4MA, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4rlfA (A:)
    vtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigvkreer
    vlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgalhpvlk
    aaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwlyssgst
    grpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtvgattl
    lmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlassagea
    lpaeigqrfqrhfgldivdgigstemlhiflsnlpdrvrygttgwpvpgyqielrgdggg
    pvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyagrtddm
    lkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlsetelktf
    ikdrlapykyprstvfvaelpktatgkiqrfklregvlg
    

    Sequence, based on observed residues (ATOM records): (download)
    >4rlfA (A:)
    vtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigvkreer
    vlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgalhpvlk
    aaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwlyssgst
    grpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtvgattl
    lmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlassagea
    lpaeigqrfqrhfgldivdgigstemlhiflsnlpdrvrygttgwpvpgyqielrgdggg
    pvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyagrtddm
    lkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlsetelktf
    ikdrlapykyprstvfvaelpktatgkiqrfklreg
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4rlfB (B:)
    vtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigvkreer
    vlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgalhpvlk
    aaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwlyssgst
    grpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtvgattl
    lmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlassagea
    lpaeigqrfqrhfgldivdgigstemlhiflsnlpdrvrygttgwpvpgyqielrgdggg
    pvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyagrtddm
    lkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlsetelktf
    ikdrlapykyprstvfvaelpktatgkiqrfklregvlg