PDB entry 6thc

View 6thc on RCSB PDB site
Description: Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone
Class: ligase
Keywords: CoaBC, bifunctional Phosphopantothenoylcysteine decarboxylase/phosphopantothenate-cysteine ligase, phosphopantothenate-cysteine ligase, Phosphopantothenoylcysteine decarboxylase, phosphopantothenoylcysteine synthetase, LIGASE
Deposited on 2019-11-19, released 2020-11-25
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-01-20, with a file datestamp of 2021-01-15.
Experiment type: XRAY
Resolution: 2.03 Å
R-factor: N/A
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Coenzyme A biosynthesis bifunctional protein coaBC
    Species: Mycolicibacterium smegmatis [TaxId:1772]
    Gene: coaBC, MSMEG_3054
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0QWT2 (8-End)
      • expression tag (6-7)
    Domains in SCOPe 2.08: d6thca1, d6thca2
  • Chain 'B':
    Compound: Coenzyme A biosynthesis bifunctional protein coaBC
    Species: Mycolicibacterium smegmatis [TaxId:1772]
    Gene: coaBC, MSMEG_3054
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0QWT2 (8-End)
      • expression tag (6-7)
    Domains in SCOPe 2.08: d6thcb1, d6thcb2
  • Chain 'C':
    Compound: Coenzyme A biosynthesis bifunctional protein coaBC
    Species: Mycolicibacterium smegmatis [TaxId:1772]
    Gene: coaBC, MSMEG_3054
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0QWT2 (8-End)
      • expression tag (6-7)
    Domains in SCOPe 2.08: d6thcc1, d6thcc2
  • Chain 'D':
    Compound: Coenzyme A biosynthesis bifunctional protein coaBC
    Species: Mycolicibacterium smegmatis [TaxId:1772]
    Gene: coaBC, MSMEG_3054
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0QWT2 (8-End)
      • expression tag (6-7)
    Domains in SCOPe 2.08: d6thcd1, d6thcd2
  • Heterogens: N9N, CTP, CA, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6thcA (A:)
    mahhhhhhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliag
    ntaglidpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkgas
    epssidlvrnddvlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcd
    llvvnavgenrafevdhndgwllsadgtesalehgsktlmatrivdsiaaflksqdg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6thcA (A:)
    hhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliagntagli
    dpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkpssidlvrn
    ddvlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcdllvvnavdgw
    llsadgtesalehgsktlmatrivdsiaaflksq
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6thcB (B:)
    mahhhhhhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliag
    ntaglidpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkgas
    epssidlvrnddvlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcd
    llvvnavgenrafevdhndgwllsadgtesalehgsktlmatrivdsiaaflksqdg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6thcB (B:)
    hhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliagntagli
    dpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkgasepssid
    lvrnddvlagavraradgqlpnmraivgfaaetvlfharaklerkgcdllvvnavgenra
    fevdhndgwllsadgtesalehgsktlmatrivdsiaaflksq
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6thcC (C:)
    mahhhhhhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliag
    ntaglidpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkgas
    epssidlvrnddvlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcd
    llvvnavgenrafevdhndgwllsadgtesalehgsktlmatrivdsiaaflksqdg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6thcC (C:)
    hhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliagntagli
    dpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikssidlvrndd
    vlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcdllvvnavndgwl
    lsadgtesalehgsktlmatrivdsiaaflksq
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6thcD (D:)
    mahhhhhhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliag
    ntaglidpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkgas
    epssidlvrnddvlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcd
    llvvnavgenrafevdhndgwllsadgtesalehgsktlmatrivdsiaaflksqdg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6thcD (D:)
    hhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliagntagli
    dpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkgasepssid
    lvrnddvlagavraradgqlpnmraivgfaaetggdvlfharaklerkgcdllvvnavge
    nrafevddgwllsadgtesalehgsktlmatrivdsiaaflksq