PDB entry 6th2

View 6th2 on RCSB PDB site
Description: Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP
Class: ligase
Keywords: CoaBC, bifunctional Phosphopantothenoylcysteine decarboxylase/phosphopantothenate-cysteine ligase, phosphopantothenate-cysteine ligase, Phosphopantothenoylcysteine decarboxylase, phosphopantothenoylcysteine synthetase, LIGASE
Deposited on 2019-11-18, 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: 1.84 Å
R-factor: N/A
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Coenzyme A biosynthesis bifunctional protein coaBC
    Species: Mycolicibacterium smegmatis MC2 155 [TaxId:246196]
    Gene: coaBC, MSMEG_3054
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0QWT2 (8-End)
      • expression tag (6-7)
    Domains in SCOPe 2.08: d6th2a1, d6th2a2
  • Chain 'B':
    Compound: Coenzyme A biosynthesis bifunctional protein coaBC
    Species: Mycolicibacterium smegmatis MC2 155 [TaxId:246196]
    Gene: coaBC, MSMEG_3054
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0QWT2 (8-End)
      • expression tag (6-7)
    Domains in SCOPe 2.08: d6th2b1, d6th2b2
  • Chain 'C':
    Compound: Coenzyme A biosynthesis bifunctional protein coaBC
    Species: Mycolicibacterium smegmatis MC2 155 [TaxId:246196]
    Gene: coaBC, MSMEG_3054
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0QWT2 (8-End)
      • expression tag (6-7)
    Domains in SCOPe 2.08: d6th2c1, d6th2c2
  • Chain 'D':
    Compound: Coenzyme A biosynthesis bifunctional protein coaBC
    Species: Mycolicibacterium smegmatis MC2 155 [TaxId:246196]
    Gene: coaBC, MSMEG_3054
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0QWT2 (8-End)
      • expression tag (6-7)
    Domains in SCOPe 2.08: d6th2d1, d6th2d2
  • Heterogens: CTP, CA, ACT, MES, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6th2A (A:)
mahhhhhhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliag
ntaglidpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkgas
epssidlvrnddvlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcd
llvvnavgenrafevdhndgwllsadgtesalehgsktlmatrivdsiaaflksqdg

    Sequence, based on observed residues (ATOM records): (download) 
    >6th2A (A:)
hhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliagntagli
dpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikssidlvrndd
vlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcdllvvnavhndgw
llsadgtesalehgsktlmatrivdsiaaflksq

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6th2B (B:)
mahhhhhhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliag
ntaglidpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkgas
epssidlvrnddvlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcd
llvvnavgenrafevdhndgwllsadgtesalehgsktlmatrivdsiaaflksqdg

    Sequence, based on observed residues (ATOM records): (download) 
    >6th2B (B:)
hhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliagntagli
dpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkgasepssid
lvrnddvlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcdllvvna
vgenrafevdhndgwllsadgtesalehgsktlmatrivdsiaaflksq

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6th2C (C:)
mahhhhhhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliag
ntaglidpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkgas
epssidlvrnddvlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcd
llvvnavgenrafevdhndgwllsadgtesalehgsktlmatrivdsiaaflksqdg

    Sequence, based on observed residues (ATOM records): (download) 
    >6th2C (C:)
hhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliagntagli
dpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaassidlvrnddvla
gavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcdllvvnadgwllsadg
tesalehgsktlmatrivdsiaaflksq

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6th2D (D:)
mahhhhhhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliag
ntaglidpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkgas
epssidlvrnddvlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcd
llvvnavgenrafevdhndgwllsadgtesalehgsktlmatrivdsiaaflksqdg

    Sequence, based on observed residues (ATOM records): (download) 
    >6th2D (D:)
hhdmagvkalvtaggtrepldpvrfignrssgkqgyavarvlaqrgadvtliagntagli
dpagvemvhigsatqlrdavskhapdanvlvmaaavadfrpahvaaakikkgasepssid
lvrnddvlagavraradgqlpnmraivgfaaetgdangdvlfharaklerkgcdllvvna
vgenrafevdhndgwllsadgtesalehgsktlmatrivdsiaaflksq