PDB entry 6bb0

View 6bb0 on RCSB PDB site
Description: Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Class: oxidoreductase
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: 1.95 Å
R-factor: N/A
AEROSPACI score: 0.32 (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: d6bb0a1, d6bb0a2
  • 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: d6bb0b1, d6bb0b2
  • 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: d6bb0c1, d6bb0c2
  • 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: d6bb0d1, d6bb0d2
  • Heterogens: NAD, EPE, SO4, D3S, LAC, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6bb0A (A:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb0A (A:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagalnlvqrnvnifkfiipnvvkysp
    nckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhplschgwv
    lgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayeviklkgyts
    waiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlvkvtlt
    seeearlkksadtlwgiqkelqf
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6bb0B (B:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb0B (B:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarlnlvqrnvnifkfiipnvvkys
    pnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhplschgw
    vlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayeviklkgyt
    swaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlvkvtl
    tseeearlkksadtlwgiqkelqf
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6bb0C (C:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb0C (C:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagasrlnlvqrnvnifkfiipnvvky
    spnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhplschg
    wvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayeviklkgy
    tswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlvkvt
    ltseeearlkksadtlwgiqkelqf
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6bb0D (D:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqqegesrlnlvqrnvnifkfii
    pnvvkyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvh
    plschgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayev
    iklkgytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngis
    dlvkvtltseeearlkksadtlwgiqkelqf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bb0D (D:)
    atlkdqliynllkeeqtpqnkitvvgvgavgmacaisilmkdladelalvdviedklkge
    mmdlqhgslflrtpkivsgkdynvtansklviitagarqsrlnlvqrnvnifkfiipnvv
    kyspnckllivsnpvdiltyvawkisgfpknrvigsgcnldsarfrylmgerlgvhplsc
    hgwvlgehgdssvpvwsgmnvagvslktlhpdlgtdkdkeqwkevhkqvvesayeviklk
    gytswaiglsvadlaesimknlrrvhpvstmikglygikddvflsvpcilgqngisdlvk
    vtltseeearlkksadtlwgiqkelqf