PDB entry 6px9

View 6px9 on RCSB PDB site
Description: Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R
Class: hydrolase/hydrolase inhibitor
Keywords: zymogen, procaspase, covalent inhibitor, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2019-07-25, released 2020-01-29
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-03-04, with a file datestamp of 2020-02-28.
Experiment type: XRAY
Resolution: 2.88 Å
R-factor: N/A
AEROSPACI score: 0.14 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: caspase-8
    Species: Homo sapiens [TaxId:9606]
    Gene: CASP8, MCH5
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q14790 (Start-262)
      • engineered mutation (216)
    Domains in SCOPe 2.08: d6px9a_
  • Chain 'B':
    Compound: caspase-8
    Species: Homo sapiens [TaxId:9606]
    Gene: CASP8, MCH5
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q14790 (Start-262)
      • engineered mutation (216)
    Domains in SCOPe 2.08: d6px9b_
  • Chain 'C':
    Compound: caspase-8
    Species: Homo sapiens [TaxId:9606]
    Gene: CASP8, MCH5
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q14790 (Start-262)
      • engineered mutation (216)
    Domains in SCOPe 2.08: d6px9c_
  • Chain 'D':
    Compound: caspase-8
    Species: Homo sapiens [TaxId:9606]
    Gene: CASP8, MCH5
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q14790 (Start-262)
      • engineered mutation (216)
    Domains in SCOPe 2.08: d6px9d_
  • Chain 'E':
    Compound: caspase-8
    Species: Homo sapiens [TaxId:9606]
    Gene: CASP8, MCH5
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q14790 (Start-262)
      • engineered mutation (216)
    Domains in SCOPe 2.08: d6px9e_
  • Chain 'F':
    Compound: caspase-8
    Species: Homo sapiens [TaxId:9606]
    Gene: CASP8, MCH5
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q14790 (Start-262)
      • engineered mutation (216)
    Domains in SCOPe 2.08: d6px9f_
  • Heterogens: 63R, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6px9A (A:)
sesqtldkvyqmkskprgycliinnhnfakarekvpklhsirdrngthldagaltttfee
lhfeikphddctveqiyeilkiyqlmdhsnmdcficcilshgdkgiiygtdgqeapiyel
tsqftglkcpslagkpkvffiqacqgdnyqkgipvetaseeqpylemalsspqtryipde
adfllgmatvnnsvsyrnpaegtwyiqslcqslrersprgddiltiltevnyevsnkddk
knmgkqmpqptftlrkklvfpsdaaalehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6px9A (A:)
dkvyqmkskprgycliinnhnfakarekvpklhsirdrngthldagaltttfeelhfeik
phddctveqiyeilkiyqlmdhsnmdcficcilshgdkgiiygtdgqeapiyeltsqftg
lkcpslagkpkvffiqacqtryipdeadfllgmatvnwyiqslcqslrersprgddilti
ltevnyevsnkqmpqptftlrkklvfpsd

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6px9B (B:)
sesqtldkvyqmkskprgycliinnhnfakarekvpklhsirdrngthldagaltttfee
lhfeikphddctveqiyeilkiyqlmdhsnmdcficcilshgdkgiiygtdgqeapiyel
tsqftglkcpslagkpkvffiqacqgdnyqkgipvetaseeqpylemalsspqtryipde
adfllgmatvnnsvsyrnpaegtwyiqslcqslrersprgddiltiltevnyevsnkddk
knmgkqmpqptftlrkklvfpsdaaalehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6px9B (B:)
dkvyqmkskprgycliinnhnfakarekvpklhsirdrngthldagaltttfeelhfeik
phddctveqiyeilkiyqlmdhsnmdcficcilshgdkgiiygtdgqeapiyeltsqftg
lkcpslagkpkvffiqacqtryipdeadfllgmatvwyiqslcqslrersprgddiltil
tevnyevsnqmpqptftlrkklvfpsd

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6px9C (C:)
sesqtldkvyqmkskprgycliinnhnfakarekvpklhsirdrngthldagaltttfee
lhfeikphddctveqiyeilkiyqlmdhsnmdcficcilshgdkgiiygtdgqeapiyel
tsqftglkcpslagkpkvffiqacqgdnyqkgipvetaseeqpylemalsspqtryipde
adfllgmatvnnsvsyrnpaegtwyiqslcqslrersprgddiltiltevnyevsnkddk
knmgkqmpqptftlrkklvfpsdaaalehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6px9C (C:)
dkvyqmkskprgycliinnhnfakarekvpklhsirdrngthldagaltttfeelhfeik
phddctveqiyeilkiyqlmdhsnmdcficcilshgdkgiiygtdgqeapiyeltsqftg
lkcpslagkpkvffiqacpqtryipdeadfllgmatwyiqslcqslrersprgddiltil
tevnyevsqmpqptftlrkklvfpsd

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6px9D (D:)
sesqtldkvyqmkskprgycliinnhnfakarekvpklhsirdrngthldagaltttfee
lhfeikphddctveqiyeilkiyqlmdhsnmdcficcilshgdkgiiygtdgqeapiyel
tsqftglkcpslagkpkvffiqacqgdnyqkgipvetaseeqpylemalsspqtryipde
adfllgmatvnnsvsyrnpaegtwyiqslcqslrersprgddiltiltevnyevsnkddk
knmgkqmpqptftlrkklvfpsdaaalehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6px9D (D:)
ldkvyqmkskprgycliinnhnfakarekvpklhsirdrngthldagaltttfeelhfei
kphddctveqiyeilkiyqlmdhsnmdcficcilshgdkgiiygtdgqeapiyeltsqft
glkcpslagkpkvffiqacqqtryipdeadfllgmatvnwyiqslcqslrersprgddil
tiltevnyevsnqmpqptftlrkklvfpsd

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >6px9E (E:)
sesqtldkvyqmkskprgycliinnhnfakarekvpklhsirdrngthldagaltttfee
lhfeikphddctveqiyeilkiyqlmdhsnmdcficcilshgdkgiiygtdgqeapiyel
tsqftglkcpslagkpkvffiqacqgdnyqkgipvetaseeqpylemalsspqtryipde
adfllgmatvnnsvsyrnpaegtwyiqslcqslrersprgddiltiltevnyevsnkddk
knmgkqmpqptftlrkklvfpsdaaalehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6px9E (E:)
dkvyqmkskprgycliinnhnfakarekvpklhsirdrngthldagaltttfeelhfeik
phddctveqiyeilkiyqlmdhsnmdcficcilshgdkgiiygtdgqeapiyeltsqftg
lkcpslagkpkvffiqacqqtryipdeadfllgmatvnnwyiqslcqslrersprgddil
tiltevnyevsnqmpqptftlrkklvfpsd

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >6px9F (F:)
sesqtldkvyqmkskprgycliinnhnfakarekvpklhsirdrngthldagaltttfee
lhfeikphddctveqiyeilkiyqlmdhsnmdcficcilshgdkgiiygtdgqeapiyel
tsqftglkcpslagkpkvffiqacqgdnyqkgipvetaseeqpylemalsspqtryipde
adfllgmatvnnsvsyrnpaegtwyiqslcqslrersprgddiltiltevnyevsnkddk
knmgkqmpqptftlrkklvfpsdaaalehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6px9F (F:)
dkvyqmkskprgycliinnhnfakarekvpklhsirdrngthldagaltttfeelhfeik
phddctveqiyeilkiyqlmdhsnmdcficcilshgdkgiiygtdgqeapiyeltsqftg
lkcpslagkpkvffiqacqqtryipdeadfllgmatvnwyiqslcqslrersprgddilt
iltevnyevsnqmpqptftlrkklvfpsd