PDB entry 4bqs

View 4bqs on RCSB PDB site
Description: Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with ADP and a shikimic acid derivative.
Class: transferase
Keywords: transferase, phosphotransferases (alcohol group acceptor), shikimic acid pathway, inhibitor
Deposited on 2013-06-02, released 2013-08-07
The last revision prior to the SCOPe 2.05 freeze date was dated 2013-08-28, with a file datestamp of 2013-08-23.
Experiment type: XRAY
Resolution: 2.15 Å
R-factor: 0.17554
AEROSPACI score: 0.43 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Shikimate kinase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4bqsa_
  • Chain 'B':
    Compound: Shikimate kinase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4bqsb_
  • Chain 'C':
    Compound: Shikimate kinase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4bqsc_
  • Heterogens: ADP, K2Q, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4bqsA (A:)
mapkavlvglpgsgkstigrrlakalgvglldtdvaieqrtgrsiadifatdgeqefrri
eedvvraaladhdgvlslgggavtspgvraalaghtvvyleisaaegvrrtggntvrpll
agpdraekyralmakraplyrrvatmrvdtnrrnpgavvrhilsrlqvpspseaat

    Sequence, based on observed residues (ATOM records): (download) 
    >4bqsA (A:)
apkavlvglpgsgkstigrrlakalgvglldtdvaieqrtgrsiadifatdgeqefrrie
edvvraaladhdgvlslgggavtspgvraalaghtvvyleisaaegvrrtggntvrplla
gpdraekyralmakraplyrrvatmrvdtnrrnpgavvrhilsrlqvps

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4bqsB (B:)
mapkavlvglpgsgkstigrrlakalgvglldtdvaieqrtgrsiadifatdgeqefrri
eedvvraaladhdgvlslgggavtspgvraalaghtvvyleisaaegvrrtggntvrpll
agpdraekyralmakraplyrrvatmrvdtnrrnpgavvrhilsrlqvpspseaat

    Sequence, based on observed residues (ATOM records): (download) 
    >4bqsB (B:)
apkavlvglpgsgkstigrrlakalgvglldtdvaieqrtgrsiadifatdgeqefrrie
edvvraaladhdgvlslgggavtspgvraalaghtvvyleisaaegvrrtggntvrplla
gpdraekyralmakraplyrrvatmrvdtnrrnpgavvrhilsrlqvps

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4bqsC (C:)
mapkavlvglpgsgkstigrrlakalgvglldtdvaieqrtgrsiadifatdgeqefrri
eedvvraaladhdgvlslgggavtspgvraalaghtvvyleisaaegvrrtggntvrpll
agpdraekyralmakraplyrrvatmrvdtnrrnpgavvrhilsrlqvpspseaat

    Sequence, based on observed residues (ATOM records): (download) 
    >4bqsC (C:)
apkavlvglpgsgkstigrrlakalgvglldtdvaieqrtgrsiadifatdgeqefrrie
edvvraaladhdgvlslgggavtspgvraalaghtvvyleisaaegvrrtggntvrplla
gpdraekyralmakraplyrrvatmrvdtnrrnpgavvrhilsrlqvps