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 SCOP 1.75 freeze date was dated 2007-05-29, with a file datestamp of 2007-06-04.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: 0.17
AEROSPACI score: 0.4 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Liver carboxylesterase 1
    Species: HOMO SAPIENS
    Gene: CES1
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2hrqa1
  • Chain 'B':
    Compound: Liver carboxylesterase 1
    Species: HOMO SAPIENS
    Gene: CES1
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2hrqb1
  • Chain 'C':
    Compound: Liver carboxylesterase 1
    Species: HOMO SAPIENS
    Gene: CES1
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2hrqc1
  • Chain 'D':
    Compound: Liver carboxylesterase 1
    Species: HOMO SAPIENS
    Gene: CES1
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2hrqd1
  • Chain 'E':
    Compound: Liver carboxylesterase 1
    Species: HOMO SAPIENS
    Gene: CES1
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2hrqe1
  • Chain 'F':
    Compound: Liver carboxylesterase 1
    Species: HOMO SAPIENS
    Gene: CES1
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2hrqf1
  • Heterogens: NAG, SIA, SUC, SO4, GD7, 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