PDB entry 6m2t

View 6m2t on RCSB PDB site
Description: The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in complex with 2-methyl-thiazole-5 carboxylate-AMP
Class: ligase
Keywords: ligase
Deposited on 2020-02-29, released 2021-03-03
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-03-03, with a file datestamp of 2021-02-26.
Experiment type: XRAY
Resolution: 2.14 Å
R-factor: N/A
AEROSPACI score: 0.36 (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 (Start-522)
      • engineered mutation (82)
      • engineered mutation (332-333)
      • engineered mutation (340)
    Domains in SCOPe 2.08: d6m2ta_
  • Chain 'B':
    Compound: benzoate-coenzyme a ligase
    Species: Rhodopseudomonas palustris [TaxId:1076]
    Gene: badA
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q93TK0 (Start-522)
      • engineered mutation (82)
      • engineered mutation (332-333)
      • engineered mutation (340)
    Domains in SCOPe 2.08: d6m2tb_
  • Chain 'C':
    Compound: benzoate-coenzyme a ligase
    Species: Rhodopseudomonas palustris [TaxId:1076]
    Gene: badA
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q93TK0 (Start-522)
      • engineered mutation (82)
      • engineered mutation (332-333)
      • engineered mutation (340)
    Domains in SCOPe 2.08: d6m2tc_
  • Chain 'D':
    Compound: benzoate-coenzyme a ligase
    Species: Rhodopseudomonas palustris [TaxId:1076]
    Gene: badA
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q93TK0 (Start-522)
      • engineered mutation (82)
      • engineered mutation (332-333)
      • engineered mutation (340)
    Domains in SCOPe 2.08: d6m2td_
  • Heterogens: 6V9, AMP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6m2tA (A:)
mnaaavtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigv
kreervlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgal
hpvlkaaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwly
ssgstgrpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtv
gattllmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlas
sagealpaeigqrfqrhfgldivdgigstemlaaflsnlpdrvrygttgwpvpgyqielr
gdgggpvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyag
rtddmlkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlset
elktfikdrlapykyprstvfvaelpktatgkiqrfklregvlg

    Sequence, based on observed residues (ATOM records): (download) 
    >6m2tA (A:)
vtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigvkreer
vlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgalhpvlk
aaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwlyssgst
grpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtvgattl
lmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlassagea
lpaeigqrfqrhfgldivdgigstemlaaflsnlpdrvrygttgwpvpgyqielrgdggg
pvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyagrtddm
lkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlsetelktf
ikdrlapykyprstvfvaelpktatgkiqrfklregvl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6m2tB (B:)
mnaaavtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigv
kreervlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgal
hpvlkaaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwly
ssgstgrpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtv
gattllmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlas
sagealpaeigqrfqrhfgldivdgigstemlaaflsnlpdrvrygttgwpvpgyqielr
gdgggpvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyag
rtddmlkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlset
elktfikdrlapykyprstvfvaelpktatgkiqrfklregvlg

    Sequence, based on observed residues (ATOM records): (download) 
    >6m2tB (B:)
vtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigvkreer
vlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgalhpvlk
aaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwlyssgst
grpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtvgattl
lmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlassagea
lpaeigqrfqrhfgldivdgigstemlaaflsnlpdrvrygttgwpvpgyqielrgdggg
pvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyagrtddm
lkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlsetelktf
ikdrlapykyprstvfvaelpktatgkiqrfklregvl

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6m2tC (C:)
mnaaavtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigv
kreervlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgal
hpvlkaaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwly
ssgstgrpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtv
gattllmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlas
sagealpaeigqrfqrhfgldivdgigstemlaaflsnlpdrvrygttgwpvpgyqielr
gdgggpvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyag
rtddmlkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlset
elktfikdrlapykyprstvfvaelpktatgkiqrfklregvlg

    Sequence, based on observed residues (ATOM records): (download) 
    >6m2tC (C:)
vtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigvkreer
vlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgalhpvlk
aaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwlyssgst
grpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtvgattl
lmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlassagea
lpaeigqrfqrhfgldivdgigstemlaaflsnlpdrvrygttgwpvpgyqielrgdggg
pvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyagrtddm
lkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlsetelktf
ikdrlapykyprstvfvaelpktatgkiqrfklregvl

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6m2tD (D:)
mnaaavtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigv
kreervlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgal
hpvlkaaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwly
ssgstgrpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtv
gattllmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlas
sagealpaeigqrfqrhfgldivdgigstemlaaflsnlpdrvrygttgwpvpgyqielr
gdgggpvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyag
rtddmlkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlset
elktfikdrlapykyprstvfvaelpktatgkiqrfklregvlg

    Sequence, based on observed residues (ATOM records): (download) 
    >6m2tD (D:)
vtpppekfnfaehllqtnrvrpdktafvddisslsfaqleaqtrqlaaalraigvkreer
vlllmldgtdwpvaflgaiyagivpvavntlltaddyaymlehsraqavlvsgalhpvlk
aaltksdhevqrvivsrpaaplepgevdfaefvgahaplekpaatqaddpafwlyssgst
grpkgvvhthanpywtselygrntlhlreddvcfsaaklffayglgnaltfpmtvgattl
lmgerptpdavfkrwlggvggvkptvfygaptgyagmlaapnlpsrdqvalrlassagea
lpaeigqrfqrhfgldivdgigstemlaaflsnlpdrvrygttgwpvpgyqielrgdggg
pvadgepgdlyihgpssatmywgnraksrdtfqggwtksgdkyvrnddgsytyagrtddm
lkvsgiyvspfeieatlvqhpgvleaavvgvadehgltkpkayvvprpgqtlsetelktf
ikdrlapykyprstvfvaelpktatgkiqrfklregvl