PDB entry 6bb2

View 6bb2 on RCSB PDB site
Description: Lactate Dehydrogenase in complex with inhibitor (S)-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: 2.47 Å
R-factor: N/A
AEROSPACI score: 0.21 (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: d6bb2a1, d6bb2a2
  • 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: d6bb2b1, d6bb2b2
  • 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: d6bb2c1, d6bb2c2
  • 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: d6bb2d1, d6bb2d2
  • 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: d6bb2e1, d6bb2e2
  • 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: d6bb2f1, d6bb2f2
  • 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: d6bb2g1, d6bb2g2
  • 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: d6bb2h1, d6bb2h2
  • Heterogens: NAD, SO4, LAC, D4J, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >6bb2A (A:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6bb2B (B:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb2B (B:)
    atlkdqliynllktpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemmd
    lqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfiipnv
    vkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpls
    chgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayevikl
    kgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlv
    kvtltseeearlkksadtlwgiqkelqf
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6bb2C (C:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb2C (C:)
    atlkdqliynllkqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemm
    dlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfiipn
    vvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpl
    schgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayevik
    lkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdl
    vkvtltseeearlkksadtlwgiqkel
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6bb2D (D:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb2D (D:)
    atlkdqliynlltpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemmdl
    qhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfiipnvv
    kyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhplsc
    hgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayeviklk
    gytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlvk
    vtltseeearlkksadtlwgiqkelqf
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >6bb2E (E:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb2E (E:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqlnlvqrnvnifkfiipnvvky
    spnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhplschg
    wvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayeviklkgy
    tswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlvkvt
    llkksadtlwgiqkelqf
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >6bb2F (F:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb2F (F:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelq
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >6bb2G (G:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb2G (G:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegenlvqrnvnifkfiipnv
    vkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpls
    chgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayevikl
    kgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlv
    kvtltseeearlkksadtlwgiqkelqf
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >6bb2H (H:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb2H (H:)
    atlkdqliynllketpqnkitvvgvgavgmacaisilmkdladelalvdviedklkgemm
    dlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfiipn
    vvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhpl
    schgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayevik
    lkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdl
    vkvtltseeearlkksadtlwgiqkelqf