PDB entry 4h2h

View 4h2h on RCSB PDB site
Description: Crystal structure of an enolase (mandalate racemase subgroup, target EFI-502101) from Pelagibaca bermudensis htcc2601, with bound mg and l-4-hydroxyproline betaine (betonicine)
Class: isomerase
Keywords: Enolase, mandelate racemase subgroup, enzyme function initiative, EFI, Structural Genomics, ISOMERASE
Deposited on 2012-09-12, released 2012-10-10
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-11-06, with a file datestamp of 2013-11-01.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.16
AEROSPACI score: 0.49 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Pelagibaca bermudensis [TaxId:314265]
    Gene: R2601_01638
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q0FPQ4 (10-375)
      • expression tag (8-9)
    Domains in SCOPe 2.07: d4h2ha1, d4h2ha2, d4h2ha3
  • Chain 'B':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Pelagibaca bermudensis [TaxId:314265]
    Gene: R2601_01638
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q0FPQ4 (10-375)
      • expression tag (9)
    Domains in SCOPe 2.07: d4h2hb1, d4h2hb2, d4h2hb3
  • Chain 'C':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Pelagibaca bermudensis [TaxId:314265]
    Gene: R2601_01638
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q0FPQ4 (10-375)
      • expression tag (9)
    Domains in SCOPe 2.07: d4h2hc1, d4h2hc2, d4h2hc3
  • Chain 'D':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Pelagibaca bermudensis [TaxId:314265]
    Gene: R2601_01638
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q0FPQ4 (10-375)
      • expression tag (9)
    Domains in SCOPe 2.07: d4h2hd1, d4h2hd2, d4h2hd3
  • Chain 'E':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Pelagibaca bermudensis [TaxId:314265]
    Gene: R2601_01638
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q0FPQ4 (10-375)
      • expression tag (9)
    Domains in SCOPe 2.07: d4h2he1, d4h2he2, d4h2he3
  • Chain 'F':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Pelagibaca bermudensis [TaxId:314265]
    Gene: R2601_01638
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q0FPQ4 (10-375)
      • expression tag (9)
    Domains in SCOPe 2.07: d4h2hf1, d4h2hf2, d4h2hf3
  • Chain 'G':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Pelagibaca bermudensis [TaxId:314265]
    Gene: R2601_01638
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q0FPQ4 (10-375)
      • expression tag (9)
    Domains in SCOPe 2.07: d4h2hg1, d4h2hg2, d4h2hg3
  • Chain 'H':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Pelagibaca bermudensis [TaxId:314265]
    Gene: R2601_01638
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q0FPQ4 (10-375)
      • expression tag (9)
    Domains in SCOPe 2.07: d4h2hh1, d4h2hh2, d4h2hh3
  • Heterogens: MG, NI, 0XW, IOD, MPD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4h2hA (A:)
    mahhhhhhslkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcp
    vgptyaeahaggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlw
    gkrlgvpvhellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpiei
    dieairkvweavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleair
    plchhalymdedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtc
    ddawggdivsaacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpgl
    gltidperfgpplfsa
    

    Sequence, based on observed residues (ATOM records): (download)
    >4h2hA (A:)
    slkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcpvgptyaea
    haggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlwgkrlgvpv
    hellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpieidieairkv
    weavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleairplchhaly
    mdedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtcddawggdi
    vsaacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpglgltidper
    fgpplfsa
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4h2hB (B:)
    mahhhhhhslkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcp
    vgptyaeahaggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlw
    gkrlgvpvhellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpiei
    dieairkvweavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleair
    plchhalymdedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtc
    ddawggdivsaacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpgl
    gltidperfgpplfsa
    

    Sequence, based on observed residues (ATOM records): (download)
    >4h2hB (B:)
    lkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcpvgptyaeah
    aggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlwgkrlgvpvh
    ellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpieidieairkvw
    eavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleairplchhalym
    dedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtcddawggdiv
    saacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpglgltidperf
    gpplfsa
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4h2hC (C:)
    mahhhhhhslkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcp
    vgptyaeahaggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlw
    gkrlgvpvhellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpiei
    dieairkvweavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleair
    plchhalymdedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtc
    ddawggdivsaacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpgl
    gltidperfgpplfsa
    

    Sequence, based on observed residues (ATOM records): (download)
    >4h2hC (C:)
    lkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcpvgptyaeah
    aggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlwgkrlgvpvh
    ellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpieidieairkvw
    eavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleairplchhalym
    dedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtcddawggdiv
    saacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpglgltidperf
    gpplfsa
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4h2hD (D:)
    mahhhhhhslkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcp
    vgptyaeahaggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlw
    gkrlgvpvhellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpiei
    dieairkvweavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleair
    plchhalymdedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtc
    ddawggdivsaacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpgl
    gltidperfgpplfsa
    

    Sequence, based on observed residues (ATOM records): (download)
    >4h2hD (D:)
    lkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcpvgptyaeah
    aggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlwgkrlgvpvh
    ellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpieidieairkvw
    eavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleairplchhalym
    dedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtcddawggdiv
    saacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpglgltidperf
    gpplfsa
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4h2hE (E:)
    mahhhhhhslkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcp
    vgptyaeahaggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlw
    gkrlgvpvhellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpiei
    dieairkvweavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleair
    plchhalymdedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtc
    ddawggdivsaacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpgl
    gltidperfgpplfsa
    

    Sequence, based on observed residues (ATOM records): (download)
    >4h2hE (E:)
    lkiaeiqlfqhdlpvvsltttivkiiaedgtigwgetcpvgptyaeahaggalaalevla
    sglagaealplplhtrmdsllcghnyaksaldiavhdlwgkrlgvpvhellggaltdsvs
    syyslgvmepdeaarqalekqregysrlqvklgarpieidieairkvweavrgtgialaa
    dgnrgwttrdalrfsrecpdipfvmeqpcnsfedleairplchhalymdedgtslntvit
    aaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtcddawggdivsaacthiastvl
    prlmegawlaqpyvaehydaengvrieggrirvpqgpglgltidperfgpplfsa
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4h2hF (F:)
    mahhhhhhslkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcp
    vgptyaeahaggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlw
    gkrlgvpvhellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpiei
    dieairkvweavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleair
    plchhalymdedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtc
    ddawggdivsaacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpgl
    gltidperfgpplfsa
    

    Sequence, based on observed residues (ATOM records): (download)
    >4h2hF (F:)
    lkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcpvgptyaeah
    aggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlwgkrlgvpvh
    ellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpieidieairkvw
    eavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleairplchhalym
    dedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtcddawggdiv
    saacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpglgltidperf
    gpplfsa
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4h2hG (G:)
    mahhhhhhslkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcp
    vgptyaeahaggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlw
    gkrlgvpvhellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpiei
    dieairkvweavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleair
    plchhalymdedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtc
    ddawggdivsaacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpgl
    gltidperfgpplfsa
    

    Sequence, based on observed residues (ATOM records): (download)
    >4h2hG (G:)
    lkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcpvgptyaeah
    aggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlwgkrlgvpvh
    ellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpieidieairkvw
    eavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleairplchhalym
    dedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtcddawggdiv
    saacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpglgltidperf
    gpplfsa
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4h2hH (H:)
    mahhhhhhslkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcp
    vgptyaeahaggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlw
    gkrlgvpvhellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpiei
    dieairkvweavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleair
    plchhalymdedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtc
    ddawggdivsaacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpgl
    gltidperfgpplfsa
    

    Sequence, based on observed residues (ATOM records): (download)
    >4h2hH (H:)
    lkiaeiqlfqhdlpvvngpyriasgdvwsltttivkiiaedgtigwgetcpvgptyaeah
    aggalaalevlasglagaealplplhtrmdsllcghnyaksaldiavhdlwgkrlgvpvh
    ellggaltdsvssyyslgvmepdeaarqalekqregysrlqvklgarpieidieairkvw
    eavrgtgialaadgnrgwttrdalrfsrecpdipfvmeqpcnsfedleairplchhalym
    dedgtslntvitaaatslvdgfgmkvsrigglqhmrafrdfcaarnlphtcddawggdiv
    saacthiastvlprlmegawlaqpyvaehydaengvrieggrirvpqgpglgltidperf
    gpplfsa