PDB entry 6bb1

View 6bb1 on RCSB PDB site
Description: Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Class: OXIDOREDUCTASE/Inhibitor
Keywords: inhibitor, OXIDOREDUCTASE, OXIDOREDUCTASE-Inhibitor complex
Deposited on 2017-10-16, released 2018-10-24
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-10-24, with a file datestamp of 2018-10-19.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: L-lactate dehydrogenase A chain
    Species: Homo sapiens [TaxId:9606]
    Gene: LDHA, PIG19
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6bb1a1, d6bb1a2
  • Chain 'B':
    Compound: L-lactate dehydrogenase A chain
    Species: Homo sapiens [TaxId:9606]
    Gene: LDHA, PIG19
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6bb1b1, d6bb1b2
  • Chain 'C':
    Compound: L-lactate dehydrogenase A chain
    Species: Homo sapiens [TaxId:9606]
    Gene: LDHA, PIG19
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6bb1c1, d6bb1c2
  • Chain 'D':
    Compound: L-lactate dehydrogenase A chain
    Species: Homo sapiens [TaxId:9606]
    Gene: LDHA, PIG19
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6bb1d1, d6bb1d2
  • Chain 'E':
    Compound: L-lactate dehydrogenase A chain
    Species: Homo sapiens [TaxId:9606]
    Gene: LDHA, PIG19
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6bb1e1, d6bb1e2
  • Chain 'F':
    Compound: L-lactate dehydrogenase A chain
    Species: Homo sapiens [TaxId:9606]
    Gene: LDHA, PIG19
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6bb1f1, d6bb1f2
  • Chain 'G':
    Compound: L-lactate dehydrogenase A chain
    Species: Homo sapiens [TaxId:9606]
    Gene: LDHA, PIG19
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6bb1g1, d6bb1g2
  • Chain 'H':
    Compound: L-lactate dehydrogenase A chain
    Species: Homo sapiens [TaxId:9606]
    Gene: LDHA, PIG19
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6bb1h1, d6bb1h2
  • Heterogens: NAD, SO4, D3J, LAC, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6bb1A (A:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb1A (A:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarnlvqrnvnifkfiipnvvkysp
    nckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhplschgwv
    lgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayeviklkgyts
    waiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlvkvtlt
    seeearlkksadtlwgiqkelqf
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6bb1B (B:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb1B (B:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitaganlvqrnvnifkfiipnvvkyspn
    ckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhplschgwvl
    gehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayeviklkgytsw
    aiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlvkvtlts
    eeearlkksadtlwgiqkelqf
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6bb1C (C:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb1C (C:)
    tlkdqliynllkqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemmd
    lqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfiipnv
    vkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpls
    chgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayevikl
    kgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlv
    kvtltseeearlkksadtlwgiqkelqf
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6bb1D (D:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb1D (D:)
    atlkdqliynllketpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemm
    dlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfiipn
    vvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpl
    schgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayevik
    lkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdl
    vkvtltseeearlkksadtlwgiqkelqf
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >6bb1E (E:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb1E (E:)
    atlkdqliynlltpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemmdl
    qhgslflrtpkivsgkdynvtansklviitagarlnlvqrnvnifkfiipnvvkyspnck
    llivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhplschgwvlge
    hgdssvpvwsgmnvagvslktlhpdkevhkqvvesayeviklkgytswaiglsvadlaes
    imknlrrvhpvstmikglygikddvflsvpcilgqngisdlvkvtltseeearlkksadt
    lwgiqkelqf
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >6bb1F (F:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb1F (F:)
    tlkdqliynllkeetpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemm
    dlqhgslflrtpkivsgkdynvtansklviitanlvqrnvnifkfiipnvvkyspnckll
    ivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhplschgwvlgehg
    dssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayeviklkgytswaigl
    svadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlvkvtltseeea
    rlkksadtlwgiqk
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >6bb1G (G:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb1G (G:)
    atlkdqliynllkqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemm
    dlqhgslflrtpkivsgkdynvtansklviitagaqegesrlnlvqrnvnifkfiipnvv
    kyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhplsc
    hgwvlgehgdssvpvwsgmnvagvslktlhpdlgeqwkevhkqvvesayeviklkgytsw
    aiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlvkvtlts
    eeearlkksadtlwgiqkelqf
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >6bb1H (H:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb1H (H:)
    atlkdqliynllkqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemm
    dlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfiipn
    vvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpl
    schgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayevik
    lkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdl
    vkvtltseeearlkksadtlwgiqkelqf