PDB entry 2hrq

View 2hrq on RCSB PDB site
Description: Crystal structure of Human Liver Carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Soman (GD)
Class: hydrolase
Keywords: Hydrolase, carboxylesterase, soman
Deposited on 2006-07-20, released 2007-05-01
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: 2.7 Å
R-factor: N/A
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Liver carboxylesterase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CES1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2hrqa_
  • Chain 'B':
    Compound: Liver carboxylesterase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CES1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2hrqb_
  • Chain 'C':
    Compound: Liver carboxylesterase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CES1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2hrqc_
  • Chain 'D':
    Compound: Liver carboxylesterase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CES1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2hrqd_
  • Chain 'E':
    Compound: Liver carboxylesterase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CES1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2hrqe_
  • Chain 'F':
    Compound: Liver carboxylesterase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CES1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2hrqf_
  • Heterogens: GD7, NAG, SIA, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2hrqA (A:)
    ssppvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvkna
    tsyppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwih
    ggglmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrw
    vqdniasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgd
    vkplaeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllg
    tvidgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsl
    lwksyplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdag
    aptymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwa
    nfarngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2hrqB (B:)
    ssppvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvkna
    tsyppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwih
    ggglmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrw
    vqdniasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgd
    vkplaeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllg
    tvidgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsl
    lwksyplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdag
    aptymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwa
    nfarngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak
    

    Sequence, based on observed residues (ATOM records): (download)
    >2hrqB (B:)
    sppvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvknat
    syppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwihg
    gglmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrwv
    qdniasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgdv
    kplaeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllgt
    vidgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsll
    wksyplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdaga
    ptymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwan
    farngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2hrqC (C:)
    ssppvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvkna
    tsyppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwih
    ggglmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrw
    vqdniasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgd
    vkplaeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllg
    tvidgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsl
    lwksyplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdag
    aptymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwa
    nfarngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak
    

    Sequence, based on observed residues (ATOM records): (download)
    >2hrqC (C:)
    sppvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvknat
    syppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwihg
    gglmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrwv
    qdniasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgdv
    kplaeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllgt
    vidgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsll
    wksyplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdaga
    ptymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwan
    farngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2hrqD (D:)
    ssppvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvkna
    tsyppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwih
    ggglmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrw
    vqdniasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgd
    vkplaeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllg
    tvidgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsl
    lwksyplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdag
    aptymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwa
    nfarngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >2hrqE (E:)
    ssppvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvkna
    tsyppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwih
    ggglmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrw
    vqdniasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgd
    vkplaeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllg
    tvidgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsl
    lwksyplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdag
    aptymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwa
    nfarngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak
    

    Sequence, based on observed residues (ATOM records): (download)
    >2hrqE (E:)
    sppvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvknat
    syppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwihg
    gglmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrwv
    qdniasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgdv
    kplaeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllgt
    vidgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsll
    wksyplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdaga
    ptymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwan
    farngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >2hrqF (F:)
    ssppvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvkna
    tsyppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwih
    ggglmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrw
    vqdniasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgd
    vkplaeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllg
    tvidgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsl
    lwksyplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdag
    aptymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwa
    nfarngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak
    

    Sequence, based on observed residues (ATOM records): (download)
    >2hrqF (F:)
    sppvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvknat
    syppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwihg
    gglmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrwv
    qdniasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgdv
    kplaeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllgt
    vidgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsll
    wksyplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdaga
    ptymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwan
    farngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak