PDB entry 3k9b

View 3k9b on RCSB PDB site
Description: Crystal structure of human liver carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Cyclosarin (GF)
Class: hydrolase
Keywords: Hydrolase, organophosphorus nerve agent, Alternative splicing, Disulfide bond, Endoplasmic reticulum, Glycoprotein, Polymorphism, Serine esterase
Deposited on 2009-10-15, released 2010-01-19
The last revision prior to the SCOPe 2.06 freeze date was dated 2010-04-14, with a file datestamp of 2010-04-09.
Experiment type: XRAY
Resolution: 3.1 Å
R-factor: 0.266
AEROSPACI score: 0.19 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Liver carboxylesterase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CES1, CES2, SES1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3k9ba_
  • Chain 'B':
    Compound: Liver carboxylesterase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CES1, CES2, SES1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3k9bb_
  • Chain 'C':
    Compound: Liver carboxylesterase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CES1, CES2, SES1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3k9bc_
  • Heterogens: WW2, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3k9bA (A:)
pvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvknatsy
ppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwihggg
lmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrwvqd
niasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgdvkp
laeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllgtvi
dgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsllwk
syplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdagapt
ymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwanfa
rngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak

    Sequence, based on observed residues (ATOM records): (download) 
    >3k9bA (A:)
pvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvknatsy
ppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwihggg
lmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrwvqd
niasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgdvkp
laeqiaitagcktttsavmvhclrqkteeellettlkmkflgtvidgmlllktpeelqae
rtvpymvginkqefgwlipmlmsyplqktamsllwksyplvciakelipeatekylgvkk
kdlfldliadvmfgvpsvivarnhrdagaptymyeffssdmkpktvigdhgdelfsvfga
pflkeirlskmvmkfwanfarngnpngeglphwpeynqkegylqigantqaaqklkdkev
afwtn

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3k9bB (B:)
pvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvknatsy
ppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwihggg
lmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrwvqd
niasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgdvkp
laeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllgtvi
dgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsllwk
syplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdagapt
ymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwanfa
rngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak

    Sequence, based on observed residues (ATOM records): (download) 
    >3k9bB (B:)
pvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvknatsy
ppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwihggg
lmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrwvqd
niasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgdvkp
laeqiaitagcktttsavmvhclrqkteeellettlkmkflsllgtvidgmlllktpeel
qfhtvpymvginkqefgwlipmlmsyplamsllwksyplvlipeatekylggtddtvkkk
dlfldliadvmfgvpsvivarnhrdagaptymyefqyrpsfssdmkpktvigdhgdelfs
vfgapflkegaseeeirlskmvmkfwanfarngnpngeglphwpeynqkegylqigantq
aaqklkdkevafwtnlfak

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3k9bC (C:)
pvvdtvhgkvlgkfvslegfaqpvaiflgipfakpplgplrftppqpaepwsfvknatsy
ppmctqdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwihggg
lmvgaastydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrwvqd
niasfggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgdvkp
laeqiaitagcktttsavmvhclrqkteeellettlkmkflsldlqgdpresqpllgtvi
dgmlllktpeelqaernfhtvpymvginkqefgwlipmlmsyplsegqldqktamsllwk
syplvciakelipeatekylggtddtvkkkdlfldliadvmfgvpsvivarnhrdagapt
ymyefqyrpsfssdmkpktvigdhgdelfsvfgapflkegaseeeirlskmvmkfwanfa
rngnpngeglphwpeynqkegylqigantqaaqklkdkevafwtnlfak

    Sequence, based on observed residues (ATOM records): (download) 
    >3k9bC (C:)
pvvdtvhgkvlgkfvslpvaiflgipfakpplgplrftppqpaepwsfvknatsyppmct
qdpkagqllselftnrkeniplklsedclylniytpadltkknrlpvmvwihggglmvga
astydglalaahenvvvvtiqyrlgiwgffstgdehsrgnwghldqvaalrwvqdniasf
ggnpgsvtifgesaggesvsvlvlsplaknlfhraisesgvaltsvlvkkgdvkplaeqi
aitagcktttsavmvhclrqkteeellettlkmkfllgtvidgmlllktpeelqahtvpy
mvginkqefgwlipmlipeatekylggtdddlfldliadvmfgvpsvivarnhrdagapt
ymyefqyrpsfvigdhgdelfsvfgapflaseeeirlskmvmkfwanfarngnpngeglp
hwpeynqkegylqigantqaaqklkdkevafwt