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 2.08 freeze date was dated 2020-07-29, with a file datestamp of 2020-07-04.
Experiment type: XRAY
Resolution: 3.25 Å
R-factor: N/A
AEROSPACI score: 0.17 (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 2.08: d2gk1.1
  • Chain 'B':
    Compound: Beta-hexosaminidase subunit beta
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2gk1.5
  • Chain 'C':
    Compound: Beta-hexosaminidase subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2gk1.2
  • Chain 'D':
    Compound: Beta-hexosaminidase subunit beta
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2gk1.6
  • Chain 'E':
    Compound: Beta-hexosaminidase subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2gk1.3
  • Chain 'F':
    Compound: Beta-hexosaminidase subunit beta
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2gk1.7
  • Chain 'G':
    Compound: Beta-hexosaminidase subunit alpha
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2gk1.4
  • Chain 'H':
    Compound: Beta-hexosaminidase subunit beta
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: d2gk1.c
  • Heterogens: 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