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 2.08 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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