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
Deposited on 2006-03-31, released 2006-05-30
The last revision prior to the SCOP 1.73 freeze date was dated 2006-06-20, with a file datestamp of 2007-06-28.
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
    Database cross-references and differences (RAF-indexed):
  • Chain 'B':
    Compound: beta-hexosaminidase beta chain
    Species: HOMO SAPIENS
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d2gk1b1, d2gk1b2
  • Chain 'C':
    Compound: Beta-hexosaminidase alpha chain
    Species: HOMO SAPIENS
    Database cross-references and differences (RAF-indexed):
  • Chain 'D':
    Compound: beta-hexosaminidase beta chain
    Species: HOMO SAPIENS
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d2gk1d1, d2gk1d2
  • Chain 'E':
    Compound: Beta-hexosaminidase alpha chain
    Species: HOMO SAPIENS
    Database cross-references and differences (RAF-indexed):
  • Chain 'F':
    Compound: beta-hexosaminidase beta chain
    Species: HOMO SAPIENS
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d2gk1f1, d2gk1f2
  • Chain 'G':
    Compound: Beta-hexosaminidase alpha chain
    Species: HOMO SAPIENS
    Database cross-references and differences (RAF-indexed):
  • Chain 'H':
    Compound: beta-hexosaminidase beta chain
    Species: HOMO SAPIENS
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d2gk1h1, d2gk1h2
  • Heterogens: NGT, HOH

PDB Chain Sequences:

  • Chain 'A':
    No sequence available.

  • 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':
    No sequence available.

  • 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':
    No sequence available.

  • 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':
    No sequence available.

  • 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