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 2.01 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 3.25 Å
R-factor: 0.277
AEROSPACI score: 0.14 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-hexosaminidase alpha chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d2gk1a1, d2gk1a2
  • Chain 'B':
    Compound: beta-hexosaminidase beta chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d2gk1b1, d2gk1b2
  • Chain 'C':
    Compound: Beta-hexosaminidase alpha chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d2gk1c1, d2gk1c2
  • Chain 'D':
    Compound: beta-hexosaminidase beta chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d2gk1d1, d2gk1d2
  • Chain 'E':
    Compound: Beta-hexosaminidase alpha chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d2gk1e1, d2gk1e2
  • Chain 'F':
    Compound: beta-hexosaminidase beta chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d2gk1f1, d2gk1f2
  • Chain 'G':
    Compound: Beta-hexosaminidase alpha chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d2gk1g1, d2gk1g2
  • Chain 'H':
    Compound: beta-hexosaminidase beta chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d2gk1h1, d2gk1h2
  • Heterogens: NGT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2gk1A (A:)
lwpwpqnfqtsdqryvlypnnfqfqydvssaaqpgcsvldeafqryrdllfgsgswprpy
ltgkrhtleknvlvvsvvtpgcnqlptlesvenytltinddqclllsetvwgalrgletf
sqlvwksaegtffinkteiedfprfphrgllldtsrhylplssildtldvmaynklnvfh
whlvddpsfpyesftfpelmrkgsynpvthiytaqdvkevieyarlrgirvlaefdtpgh
tlswgpgipglltpcysgsepsgtfgpvnpslnntyefmstfflevssvfpdfylhlggd
evdftcwksnpeiqdfmrkkgfgedfkqlesfyiqtlldivssygkgyvvwqevfdnkvk
iqpdtiiqvwredipvnymkelelvtkagfrallsapwylnrisygpdwkdfyvveplaf
egtpeqkalviggeacmwgeyvdntnlvprlwpragavaerlwsnkltsdltfayerlsh
frcellrrgvqaqplnvgfceqefeqt

    Sequence, based on observed residues (ATOM records): (download) 
    >2gk1A (A:)
lwpwpqnfqtsdqryvlypnnfqfqydvssaaqpgcsvldeafqryrdllfgtleknvlv
vsvvtpgcnqlptlesvenytltinddqclllsetvwgalrgletfsqlvwksaegtffi
nkteiedfprfphrgllldtsrhylplssildtldvmaynklnvfhwhlvddpsfpyesf
tfpelmrkgsynpvthiytaqdvkevieyarlrgirvlaefdtpghtlswgpgipglltp
cysgsepsgtfgpvnpslnntyefmstfflevssvfpdfylhlggdevdftcwksnpeiq
dfmrkkgfgedfkqlesfyiqtlldivssygkgyvvwqevfdnkvkiqpdtiiqvwredi
pvnymkelelvtkagfrallsapwylnrisygpdwkdfyvveplafegtpeqkalvigge
acmwgeyvdntnlvprlwpragavaerlwsnkltsdltfayerlshfrcellrrgvqaqp
lnvgfceqefeq

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >2gk1B (B:)
akpgpalwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifgfy
kwhhepaefqaktqvqqllvsitlqsecdafpnissdesytllvkepvavlkanrvwgal
rgletfsqlvyqdsygtftinestiidsprfshrgilidtsrhylpvkiilktldamafn
kfnvlhwhivddqsfpyqsitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpef
dtpghtlswgkgqkdlltpcysrqnkldsfgpinptlnttysflttffkeisevfpdqfi
hlggdevefkcwesnpkiqdfmrqkgfgtdfkklesfyiqkvldiiatinkgsivwqevf
ddkaklapgtivevwkdsaypeelsrvtasgfpvilsapwyldlisygqdwrkyykvepl
dfggtqkqkqlfiggeaclwgeyvdatnltprlwprasavgerlwsskdvrdmddaydrl
trhrcrmvergiaaqplyagycn

    Sequence, based on observed residues (ATOM records): (download) 
    >2gk1B (B:)
palwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifgtqvqql
lvsitlqsecdafpnissdesytllvkepvavlkanrvwgalrgletfsqlvyqdsygtf
tinestiidsprfshrgilidtsrhylpvkiilktldamafnkfnvlhwhivddqsfpyq
sitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpefdtpghtlswgkgqkdllt
pcysdsfgpinptlnttysflttffkeisevfpdqfihlggdevefkcwesnpkiqdfmr
qkgfgtdfkklesfyiqkvldiiatinkgsivwqevfddkaklapgtivevwkdsaypee
lsrvtasgfpvilsapwyldlisygqdwrkyykvepldfggtqkqkqlfiggeaclwgey
vdatnltprlwprasavgerlwsskdvrdmddaydrltrhrcrmvergiaaqplyagycn

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >2gk1C (C:)
lwpwpqnfqtsdqryvlypnnfqfqydvssaaqpgcsvldeafqryrdllfgsgswprpy
ltgkrhtleknvlvvsvvtpgcnqlptlesvenytltinddqclllsetvwgalrgletf
sqlvwksaegtffinkteiedfprfphrgllldtsrhylplssildtldvmaynklnvfh
whlvddpsfpyesftfpelmrkgsynpvthiytaqdvkevieyarlrgirvlaefdtpgh
tlswgpgipglltpcysgsepsgtfgpvnpslnntyefmstfflevssvfpdfylhlggd
evdftcwksnpeiqdfmrkkgfgedfkqlesfyiqtlldivssygkgyvvwqevfdnkvk
iqpdtiiqvwredipvnymkelelvtkagfrallsapwylnrisygpdwkdfyvveplaf
egtpeqkalviggeacmwgeyvdntnlvprlwpragavaerlwsnkltsdltfayerlsh
frcellrrgvqaqplnvgfceqefeqt

    Sequence, based on observed residues (ATOM records): (download) 
    >2gk1C (C:)
lwpwpqnfqtsdqryvlypnnfqfqydvssaaqpgcsvldeafqryrdllfgtleknvlv
vsvvtpgcnqlptlesvenytltinddqclllsetvwgalrgletfsqlvwksaegtffi
nkteiedfprfphrgllldtsrhylplssildtldvmaynklnvfhwhlvddpsfpyesf
tfpelmrkgsynpvthiytaqdvkevieyarlrgirvlaefdtpghtlswgpgipglltp
cysgsepsgtfgpvnpslnntyefmstfflevssvfpdfylhlggdevdftcwksnpeiq
dfmrkkgfgedfkqlesfyiqtlldivssygkgyvvwqevfdnkvkiqpdtiiqvwredi
pvnymkelelvtkagfrallsapwylnrisygpdwkdfyvveplafegtpeqkalvigge
acmwgeyvdntnlvprlwpragavaerlwsnkltsdltfayerlshfrcellrrgvqaqp
lnvgfceqefeq

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >2gk1D (D:)
akpgpalwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifgfy
kwhhepaefqaktqvqqllvsitlqsecdafpnissdesytllvkepvavlkanrvwgal
rgletfsqlvyqdsygtftinestiidsprfshrgilidtsrhylpvkiilktldamafn
kfnvlhwhivddqsfpyqsitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpef
dtpghtlswgkgqkdlltpcysrqnkldsfgpinptlnttysflttffkeisevfpdqfi
hlggdevefkcwesnpkiqdfmrqkgfgtdfkklesfyiqkvldiiatinkgsivwqevf
ddkaklapgtivevwkdsaypeelsrvtasgfpvilsapwyldlisygqdwrkyykvepl
dfggtqkqkqlfiggeaclwgeyvdatnltprlwprasavgerlwsskdvrdmddaydrl
trhrcrmvergiaaqplyagycn

    Sequence, based on observed residues (ATOM records): (download) 
    >2gk1D (D:)
palwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifgtqvqql
lvsitlqsecdafpnissdesytllvkepvavlkanrvwgalrgletfsqlvyqdsygtf
tinestiidsprfshrgilidtsrhylpvkiilktldamafnkfnvlhwhivddqsfpyq
sitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpefdtpghtlswgkgqkdllt
pcydsfgpinptlnttysflttffkeisevfpdqfihlggdevefkcwesnpkiqdfmrq
kgfgtdfkklesfyiqkvldiiatinkgsivwqevfddkaklapgtivevwkdsaypeel
srvtasgfpvilsapwyldlisygqdwrkyykvepldfggtqkqkqlfiggeaclwgeyv
datnltprlwprasavgerlwsskdvrdmddaydrltrhrcrmvergiaaqplyagycn

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >2gk1E (E:)
lwpwpqnfqtsdqryvlypnnfqfqydvssaaqpgcsvldeafqryrdllfgsgswprpy
ltgkrhtleknvlvvsvvtpgcnqlptlesvenytltinddqclllsetvwgalrgletf
sqlvwksaegtffinkteiedfprfphrgllldtsrhylplssildtldvmaynklnvfh
whlvddpsfpyesftfpelmrkgsynpvthiytaqdvkevieyarlrgirvlaefdtpgh
tlswgpgipglltpcysgsepsgtfgpvnpslnntyefmstfflevssvfpdfylhlggd
evdftcwksnpeiqdfmrkkgfgedfkqlesfyiqtlldivssygkgyvvwqevfdnkvk
iqpdtiiqvwredipvnymkelelvtkagfrallsapwylnrisygpdwkdfyvveplaf
egtpeqkalviggeacmwgeyvdntnlvprlwpragavaerlwsnkltsdltfayerlsh
frcellrrgvqaqplnvgfceqefeqt

    Sequence, based on observed residues (ATOM records): (download) 
    >2gk1E (E:)
lwpwpqnfqtsdqryvlypnnfqfqydvssaaqpgcsvldeafqryrdllfgtleknvlv
vsvvtpgcnqlptlesvenytltinddqclllsetvwgalrgletfsqlvwksaegtffi
nkteiedfprfphrgllldtsrhylplssildtldvmaynklnvfhwhlvddpsfpyesf
tfpelmrkgsynpvthiytaqdvkevieyarlrgirvlaefdtpghtlswgpgipglltp
cysgsepsgtfgpvnpslnntyefmstfflevssvfpdfylhlggdevdftcwksnpeiq
dfmrkkgfgedfkqlesfyiqtlldivssygkgyvvwqevfdnkvkiqpdtiiqvwredi
pvnymkelelvtkagfrallsapwylnrisygpdwkdfyvveplafegtpeqkalvigge
acmwgeyvdntnlvprlwpragavaerlwsnkltsdltfayerlshfrcellrrgvqaqp
lnvgfceqefeq

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >2gk1F (F:)
akpgpalwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifgfy
kwhhepaefqaktqvqqllvsitlqsecdafpnissdesytllvkepvavlkanrvwgal
rgletfsqlvyqdsygtftinestiidsprfshrgilidtsrhylpvkiilktldamafn
kfnvlhwhivddqsfpyqsitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpef
dtpghtlswgkgqkdlltpcysrqnkldsfgpinptlnttysflttffkeisevfpdqfi
hlggdevefkcwesnpkiqdfmrqkgfgtdfkklesfyiqkvldiiatinkgsivwqevf
ddkaklapgtivevwkdsaypeelsrvtasgfpvilsapwyldlisygqdwrkyykvepl
dfggtqkqkqlfiggeaclwgeyvdatnltprlwprasavgerlwsskdvrdmddaydrl
trhrcrmvergiaaqplyagycn

    Sequence, based on observed residues (ATOM records): (download) 
    >2gk1F (F:)
palwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifgtqvqql
lvsitlqsecdafpnissdesytllvkepvavlkanrvwgalrgletfsqlvyqdsygtf
tinestiidsprfshrgilidtsrhylpvkiilktldamafnkfnvlhwhivddqsfpyq
sitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpefdtpghtlswgkgqkdllt
pcysdsfgpinptlnttysflttffkeisevfpdqfihlggdevefkcwesnpkiqdfmr
qkgfgtdfkklesfyiqkvldiiatinkgsivwqevfddkaklapgtivevwkdsaypee
lsrvtasgfpvilsapwyldlisygqdwrkyykvepldfggtqkqkqlfiggeaclwgey
vdatnltprlwprasavgerlwsskdvrdmddaydrltrhrcrmvergiaaqplyagycn

  • Chain 'G':
    Sequence, based on SEQRES records: (download) 
    >2gk1G (G:)
lwpwpqnfqtsdqryvlypnnfqfqydvssaaqpgcsvldeafqryrdllfgsgswprpy
ltgkrhtleknvlvvsvvtpgcnqlptlesvenytltinddqclllsetvwgalrgletf
sqlvwksaegtffinkteiedfprfphrgllldtsrhylplssildtldvmaynklnvfh
whlvddpsfpyesftfpelmrkgsynpvthiytaqdvkevieyarlrgirvlaefdtpgh
tlswgpgipglltpcysgsepsgtfgpvnpslnntyefmstfflevssvfpdfylhlggd
evdftcwksnpeiqdfmrkkgfgedfkqlesfyiqtlldivssygkgyvvwqevfdnkvk
iqpdtiiqvwredipvnymkelelvtkagfrallsapwylnrisygpdwkdfyvveplaf
egtpeqkalviggeacmwgeyvdntnlvprlwpragavaerlwsnkltsdltfayerlsh
frcellrrgvqaqplnvgfceqefeqt

    Sequence, based on observed residues (ATOM records): (download) 
    >2gk1G (G:)
lwpwpqnfqtsdqryvlypnnfqfqydvssaaqpgcsvldeafqryrdllfgtleknvlv
vsvvtpgcnqlptlesvenytltinddqclllsetvwgalrgletfsqlvwksaegtffi
nkteiedfprfphrgllldtsrhylplssildtldvmaynklnvfhwhlvddpsfpyesf
tfpelmrkgsynpvthiytaqdvkevieyarlrgirvlaefdtpghtlswgpgipglltp
cysgsepsgtfgpvnpslnntyefmstfflevssvfpdfylhlggdevdftcwksnpeiq
dfmrkkgfgedfkqlesfyiqtlldivssygkgyvvwqevfdnkvkiqpdtiiqvwredi
pvnymkelelvtkagfrallsapwylnrisygpdwkdfyvveplafegtpeqkalvigge
acmwgeyvdntnlvprlwpragavaerlwsnkltsdltfayerlshfrcellrrgvqaqp
lnvgfceqefeq

  • Chain 'H':
    Sequence, based on SEQRES records: (download) 
    >2gk1H (H:)
akpgpalwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifgfy
kwhhepaefqaktqvqqllvsitlqsecdafpnissdesytllvkepvavlkanrvwgal
rgletfsqlvyqdsygtftinestiidsprfshrgilidtsrhylpvkiilktldamafn
kfnvlhwhivddqsfpyqsitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpef
dtpghtlswgkgqkdlltpcysrqnkldsfgpinptlnttysflttffkeisevfpdqfi
hlggdevefkcwesnpkiqdfmrqkgfgtdfkklesfyiqkvldiiatinkgsivwqevf
ddkaklapgtivevwkdsaypeelsrvtasgfpvilsapwyldlisygqdwrkyykvepl
dfggtqkqkqlfiggeaclwgeyvdatnltprlwprasavgerlwsskdvrdmddaydrl
trhrcrmvergiaaqplyagycn

    Sequence, based on observed residues (ATOM records): (download) 
    >2gk1H (H:)
palwplplsvkmtpnllhlapenfyishspnstagpsctlleeafrryhgyifgtqvqql
lvsitlqsecdafpnissdesytllvkepvavlkanrvwgalrgletfsqlvyqdsygtf
tinestiidsprfshrgilidtsrhylpvkiilktldamafnkfnvlhwhivddqsfpyq
sitfpelsnkgsyslshvytpndvrmvieyarlrgirvlpefdtpghtlswgkgqkdllt
pcysdsfgpinptlnttysflttffkeisevfpdqfihlggdevefkcwesnpkiqdfmr
qkgfgtdfkklesfyiqkvldiiatinkgsivwqevfddkaklapgtivevwkdsaypee
lsrvtasgfpvilsapwyldlisygqdwrkyykvepldfggtqkqkqlfiggeaclwgey
vdatnltprlwprasavgerlwsskdvrdmddaydrltrhrcrmvergiaaqplyagycn