PDB entry 6m2u

View 6m2u on RCSB PDB site
Description: The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in complex with 2-chloro-1,3-thiazole-5-carboxylate-AMP
Class: ligase
Keywords: Benzoate, coenzyme, complex, LIGASE
Deposited on 2020-02-29, released 2021-01-13
The last revision prior to the SCOPe 2.07 freeze date was dated 2021-01-13, with a file datestamp of 2021-01-08.
Experiment type: XRAY
Resolution: 1.71 Å
R-factor: N/A
AEROSPACI score: 0.48 (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 (0-517)
      • engineered mutation (77)
      • engineered mutation (327-328)
      • engineered mutation (335)
    Domains in SCOPe 2.07: d6m2ua_
  • 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)
      • engineered mutation (77)
      • engineered mutation (327-328)
      • engineered mutation (335)
    Domains in SCOPe 2.07: d6m2ub_
  • Heterogens: AMP, F0O, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6m2uA (A:)
vtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigvkreer
vlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgalhpvlk
aaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwlyssgst
grpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtvgattl
lmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlassagea
lpaeigqrfqrhfgldivdgigstemlaaflsnlpdrvrygttgwpvpgyqielrgdggg
pvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyagrtddm
lkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlsetelktf
ikdrlapykyprstvfvaelpktatgkiqrfklregvl

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6m2uB (B:)
vtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigvkreer
vlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgalhpvlk
aaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwlyssgst
grpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtvgattl
lmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlassagea
lpaeigqrfqrhfgldivdgigstemlaaflsnlpdrvrygttgwpvpgyqielrgdggg
pvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyagrtddm
lkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlsetelktf
ikdrlapykyprstvfvaelpktatgkiqrfklregvl