PDB entry 2gk1

View 2gk1 on RCSB PDB site
Description: X-ray crystal structure of NGT-bound HexA
Class: hydrolase
Keywords: beta-hexoasaminidase A, glycosidase, Tay-Sachs disease, Sandhoff disease, NAG-thazoline, GM2 gangliodosis, HYDROLASE
Deposited on 2006-03-31, released 2006-05-30
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-10-18, with a file datestamp of 2017-10-13.
Experiment type: XRAY
Resolution: 3.25 Å
R-factor: N/A
AEROSPACI score: 0.1 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-hexosaminidase subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.1
  • Chain 'B':
    Compound: Beta-hexosaminidase subunit beta
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.5
  • Chain 'C':
    Compound: Beta-hexosaminidase subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.2
  • Chain 'D':
    Compound: Beta-hexosaminidase subunit beta
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.6
  • Chain 'E':
    Compound: Beta-hexosaminidase subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.3
  • Chain 'F':
    Compound: Beta-hexosaminidase subunit beta
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.7
  • Chain 'G':
    Compound: Beta-hexosaminidase subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.4
  • Chain 'H':
    Compound: Beta-hexosaminidase subunit beta
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.8
  • Chain 'I':
    Compound: Beta-hexosaminidase subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P06865 (0-439)
      • variant (347)
    Domains in SCOPe 2.07: d2gk1.1, d2gk1i1
  • Chain 'J':
    Compound: Beta-hexosaminidase subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P06865 (0-439)
      • variant (347)
    Domains in SCOPe 2.07: d2gk1.2, d2gk1j1
  • Chain 'K':
    Compound: Beta-hexosaminidase subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P06865 (0-439)
      • variant (347)
    Domains in SCOPe 2.07: d2gk1.3, d2gk1k1
  • Chain 'L':
    Compound: Beta-hexosaminidase subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P06865 (0-439)
      • variant (347)
    Domains in SCOPe 2.07: d2gk1.4, d2gk1l1
  • Chain 'M':
    Compound: Beta-hexosaminidase subunit beta chain B
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.5, d2gk1.9
  • Chain 'N':
    Compound: Beta-hexosaminidase subunit beta chain A
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.9
  • Chain 'O':
    Compound: Beta-hexosaminidase subunit beta chain B
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.6, d2gk1.a
  • Chain 'P':
    Compound: Beta-hexosaminidase subunit beta chain A
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.a
  • Chain 'Q':
    Compound: Beta-hexosaminidase subunit beta chain B
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.7, d2gk1.b
  • Chain 'R':
    Compound: Beta-hexosaminidase subunit beta chain A
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.b
  • Chain 'S':
    Compound: Beta-hexosaminidase subunit beta chain B
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.8, d2gk1.c
  • Chain 'T':
    Compound: Beta-hexosaminidase subunit beta chain A
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2gk1.c
  • Heterogens: NAG, BMA, NGT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2gk1A (A:)
    lwpwpqnfqtsdqryvlypnnfqfqydvssaaqpgcsvldeafqryrdllfg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2gk1B (B:)
    akpgpalwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2gk1B (B:)
    palwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifg
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2gk1C (C:)
    lwpwpqnfqtsdqryvlypnnfqfqydvssaaqpgcsvldeafqryrdllfg
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2gk1D (D:)
    akpgpalwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2gk1D (D:)
    palwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifg
    

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2gk1E (E:)
    lwpwpqnfqtsdqryvlypnnfqfqydvssaaqpgcsvldeafqryrdllfg
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >2gk1F (F:)
    akpgpalwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2gk1F (F:)
    palwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifg
    

  • Chain 'G':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2gk1G (G:)
    lwpwpqnfqtsdqryvlypnnfqfqydvssaaqpgcsvldeafqryrdllfg
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >2gk1H (H:)
    akpgpalwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2gk1H (H:)
    palwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifg
    

  • Chain 'I':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2gk1I (I:)
    tleknvlvvsvvtpgcnqlptlesvenytltinddqclllsetvwgalrgletfsqlvwk
    saegtffinkteiedfprfphrgllldtsrhylplssildtldvmaynklnvfhwhlvdd
    psfpyesftfpelmrkgsynpvthiytaqdvkevieyarlrgirvlaefdtpghtlswgp
    gipglltpcysgsepsgtfgpvnpslnntyefmstfflevssvfpdfylhlggdevdftc
    wksnpeiqdfmrkkgfgedfkqlesfyiqtlldivssygkgyvvwqevfdnkvkiqpdti
    iqvwredipvnymkelelvtkagfrallsapwylnrisygpdwkdfyvveplafegtpeq
    kalviggeacmwgeyvdntnlvprlwpragavaerlwsnkltsdltfayerlshfrcell
    rrgvqaqplnvgfceqefeq
    

  • Chain 'J':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2gk1J (J:)
    tleknvlvvsvvtpgcnqlptlesvenytltinddqclllsetvwgalrgletfsqlvwk
    saegtffinkteiedfprfphrgllldtsrhylplssildtldvmaynklnvfhwhlvdd
    psfpyesftfpelmrkgsynpvthiytaqdvkevieyarlrgirvlaefdtpghtlswgp
    gipglltpcysgsepsgtfgpvnpslnntyefmstfflevssvfpdfylhlggdevdftc
    wksnpeiqdfmrkkgfgedfkqlesfyiqtlldivssygkgyvvwqevfdnkvkiqpdti
    iqvwredipvnymkelelvtkagfrallsapwylnrisygpdwkdfyvveplafegtpeq
    kalviggeacmwgeyvdntnlvprlwpragavaerlwsnkltsdltfayerlshfrcell
    rrgvqaqplnvgfceqefeq
    

  • Chain 'K':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2gk1K (K:)
    tleknvlvvsvvtpgcnqlptlesvenytltinddqclllsetvwgalrgletfsqlvwk
    saegtffinkteiedfprfphrgllldtsrhylplssildtldvmaynklnvfhwhlvdd
    psfpyesftfpelmrkgsynpvthiytaqdvkevieyarlrgirvlaefdtpghtlswgp
    gipglltpcysgsepsgtfgpvnpslnntyefmstfflevssvfpdfylhlggdevdftc
    wksnpeiqdfmrkkgfgedfkqlesfyiqtlldivssygkgyvvwqevfdnkvkiqpdti
    iqvwredipvnymkelelvtkagfrallsapwylnrisygpdwkdfyvveplafegtpeq
    kalviggeacmwgeyvdntnlvprlwpragavaerlwsnkltsdltfayerlshfrcell
    rrgvqaqplnvgfceqefeq
    

  • Chain 'L':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2gk1L (L:)
    tleknvlvvsvvtpgcnqlptlesvenytltinddqclllsetvwgalrgletfsqlvwk
    saegtffinkteiedfprfphrgllldtsrhylplssildtldvmaynklnvfhwhlvdd
    psfpyesftfpelmrkgsynpvthiytaqdvkevieyarlrgirvlaefdtpghtlswgp
    gipglltpcysgsepsgtfgpvnpslnntyefmstfflevssvfpdfylhlggdevdftc
    wksnpeiqdfmrkkgfgedfkqlesfyiqtlldivssygkgyvvwqevfdnkvkiqpdti
    iqvwredipvnymkelelvtkagfrallsapwylnrisygpdwkdfyvveplafegtpeq
    kalviggeacmwgeyvdntnlvprlwpragavaerlwsnkltsdltfayerlshfrcell
    rrgvqaqplnvgfceqefeq
    

  • Chain 'M':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2gk1M (M:)
    tqvqqllvsitlqsecdafpnissdesytllvkepvavlkanrvwgalrgletfsqlvyq
    dsygtftinestiidsprfshrgilidtsrhylpvkiilktldamafnkfnvlhwhivdd
    qsfpyqsitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpefdtpghtlswgkg
    qkdlltpcys
    

  • Chain 'N':
    Sequence, based on SEQRES records: (download)
    >2gk1N (N:)
    ldsfgpinptlnttysflttffkeisevfpdqfihlggdevefkcwesnpkiqdfmrqkg
    fgtdfkklesfyiqkvldiiatinkgsivwqevfddkaklapgtivevwkdsaypeelsr
    vtasgfpvilsapwyldlisygqdwrkyykvepldfggtqkqkqlfiggeaclwgeyvda
    tnltprlwprasavgerlwsskdvrdmddaydrltrhrcrmvergiaaqplyagycn
    

    Sequence, based on observed residues (ATOM records): (download)
    >2gk1N (N:)
    dsfgpinptlnttysflttffkeisevfpdqfihlggdevefkcwesnpkiqdfmrqkgf
    gtdfkklesfyiqkvldiiatinkgsivwqevfddkaklapgtivevwkdsaypeelsrv
    tasgfpvilsapwyldlisygqdwrkyykvepldfggtqkqkqlfiggeaclwgeyvdat
    nltprlwprasavgerlwsskdvrdmddaydrltrhrcrmvergiaaqplyagycn
    

  • Chain 'O':
    Sequence, based on SEQRES records: (download)
    >2gk1O (O:)
    tqvqqllvsitlqsecdafpnissdesytllvkepvavlkanrvwgalrgletfsqlvyq
    dsygtftinestiidsprfshrgilidtsrhylpvkiilktldamafnkfnvlhwhivdd
    qsfpyqsitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpefdtpghtlswgkg
    qkdlltpcys
    

    Sequence, based on observed residues (ATOM records): (download)
    >2gk1O (O:)
    tqvqqllvsitlqsecdafpnissdesytllvkepvavlkanrvwgalrgletfsqlvyq
    dsygtftinestiidsprfshrgilidtsrhylpvkiilktldamafnkfnvlhwhivdd
    qsfpyqsitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpefdtpghtlswgkg
    qkdlltpcy
    

  • Chain 'P':
    Sequence, based on SEQRES records: (download)
    >2gk1P (P:)
    ldsfgpinptlnttysflttffkeisevfpdqfihlggdevefkcwesnpkiqdfmrqkg
    fgtdfkklesfyiqkvldiiatinkgsivwqevfddkaklapgtivevwkdsaypeelsr
    vtasgfpvilsapwyldlisygqdwrkyykvepldfggtqkqkqlfiggeaclwgeyvda
    tnltprlwprasavgerlwsskdvrdmddaydrltrhrcrmvergiaaqplyagycn
    

    Sequence, based on observed residues (ATOM records): (download)
    >2gk1P (P:)
    dsfgpinptlnttysflttffkeisevfpdqfihlggdevefkcwesnpkiqdfmrqkgf
    gtdfkklesfyiqkvldiiatinkgsivwqevfddkaklapgtivevwkdsaypeelsrv
    tasgfpvilsapwyldlisygqdwrkyykvepldfggtqkqkqlfiggeaclwgeyvdat
    nltprlwprasavgerlwsskdvrdmddaydrltrhrcrmvergiaaqplyagycn
    

  • Chain 'Q':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2gk1Q (Q:)
    tqvqqllvsitlqsecdafpnissdesytllvkepvavlkanrvwgalrgletfsqlvyq
    dsygtftinestiidsprfshrgilidtsrhylpvkiilktldamafnkfnvlhwhivdd
    qsfpyqsitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpefdtpghtlswgkg
    qkdlltpcys
    

  • Chain 'R':
    Sequence, based on SEQRES records: (download)
    >2gk1R (R:)
    ldsfgpinptlnttysflttffkeisevfpdqfihlggdevefkcwesnpkiqdfmrqkg
    fgtdfkklesfyiqkvldiiatinkgsivwqevfddkaklapgtivevwkdsaypeelsr
    vtasgfpvilsapwyldlisygqdwrkyykvepldfggtqkqkqlfiggeaclwgeyvda
    tnltprlwprasavgerlwsskdvrdmddaydrltrhrcrmvergiaaqplyagycn
    

    Sequence, based on observed residues (ATOM records): (download)
    >2gk1R (R:)
    dsfgpinptlnttysflttffkeisevfpdqfihlggdevefkcwesnpkiqdfmrqkgf
    gtdfkklesfyiqkvldiiatinkgsivwqevfddkaklapgtivevwkdsaypeelsrv
    tasgfpvilsapwyldlisygqdwrkyykvepldfggtqkqkqlfiggeaclwgeyvdat
    nltprlwprasavgerlwsskdvrdmddaydrltrhrcrmvergiaaqplyagycn
    

  • Chain 'S':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2gk1S (S:)
    tqvqqllvsitlqsecdafpnissdesytllvkepvavlkanrvwgalrgletfsqlvyq
    dsygtftinestiidsprfshrgilidtsrhylpvkiilktldamafnkfnvlhwhivdd
    qsfpyqsitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpefdtpghtlswgkg
    qkdlltpcys
    

  • Chain 'T':
    Sequence, based on SEQRES records: (download)
    >2gk1T (T:)
    ldsfgpinptlnttysflttffkeisevfpdqfihlggdevefkcwesnpkiqdfmrqkg
    fgtdfkklesfyiqkvldiiatinkgsivwqevfddkaklapgtivevwkdsaypeelsr
    vtasgfpvilsapwyldlisygqdwrkyykvepldfggtqkqkqlfiggeaclwgeyvda
    tnltprlwprasavgerlwsskdvrdmddaydrltrhrcrmvergiaaqplyagycn
    

    Sequence, based on observed residues (ATOM records): (download)
    >2gk1T (T:)
    dsfgpinptlnttysflttffkeisevfpdqfihlggdevefkcwesnpkiqdfmrqkgf
    gtdfkklesfyiqkvldiiatinkgsivwqevfddkaklapgtivevwkdsaypeelsrv
    tasgfpvilsapwyldlisygqdwrkyykvepldfggtqkqkqlfiggeaclwgeyvdat
    nltprlwprasavgerlwsskdvrdmddaydrltrhrcrmvergiaaqplyagycn