PDB entry 6e6e

View 6e6e on RCSB PDB site
Description: DGY-06-116, a novel and selective covalent inhibitor of SRC kinase
Class: TRANSFERASE/TRANSFERASE inhibitor
Keywords: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, TRANSFERASE, TRANSFERASE-TRANSFERASE inhibitor complex
Deposited on 2018-07-24, released 2019-07-31
The last revision prior to the SCOPe 2.07 freeze date was dated 2019-07-31, with a file datestamp of 2019-07-26.
Experiment type: XRAY
Resolution: 2.15 Å
R-factor: N/A
AEROSPACI score: 0.28 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Proto-oncogene tyrosine-protein kinase Src
    Species: Homo sapiens [TaxId:9606]
    Gene: SRC, SRC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6e6ea_
  • Chain 'B':
    Compound: Proto-oncogene tyrosine-protein kinase Src
    Species: Homo sapiens [TaxId:9606]
    Gene: SRC, SRC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6e6eb_
  • Chain 'C':
    Compound: Proto-oncogene tyrosine-protein kinase Src
    Species: Homo sapiens [TaxId:9606]
    Gene: SRC, SRC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6e6ec_
  • Chain 'D':
    Compound: Proto-oncogene tyrosine-protein kinase Src
    Species: Homo sapiens [TaxId:9606]
    Gene: SRC, SRC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6e6ed_
  • Chain 'E':
    Compound: Proto-oncogene tyrosine-protein kinase Src
    Species: Homo sapiens [TaxId:9606]
    Gene: SRC, SRC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6e6ee_
  • Chain 'F':
    Compound: Proto-oncogene tyrosine-protein kinase Src
    Species: Homo sapiens [TaxId:9606]
    Gene: SRC, SRC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6e6ef_
  • Chain 'G':
    Compound: Proto-oncogene tyrosine-protein kinase Src
    Species: Homo sapiens [TaxId:9606]
    Gene: SRC, SRC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6e6eg_
  • Chain 'H':
    Compound: Proto-oncogene tyrosine-protein kinase Src
    Species: Homo sapiens [TaxId:9606]
    Gene: SRC, SRC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6e6eh_
  • Heterogens: HVY, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6e6eA (A:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliedneytarqgakfpikwtapeaalyg
    rftiksdvwsfgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcq
    cwrkepeerptfeylqafledyftstepqyqpgenl
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e6eA (A:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliakfpikwtapeaalygrftiksdvws
    fgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcqcwrkepeerp
    tfeylqafledyftstepqyqpgenl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6e6eB (B:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliedneytarqgakfpikwtapeaalyg
    rftiksdvwsfgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcq
    cwrkepeerptfeylqafledyftstepqyqpgenl
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e6eB (B:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliakfpikwtapeaalygrftiksdvws
    fgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcqcwrkepeerp
    tfeylqafledyftstepqyqpgenl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6e6eC (C:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliedneytarqgakfpikwtapeaalyg
    rftiksdvwsfgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcq
    cwrkepeerptfeylqafledyftstepqyqpgenl
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e6eC (C:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliakfpikwtapeaalygrftiksdvws
    fgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcqcwrkepeerp
    tfeylqafledyftstepqyqpgenl
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6e6eD (D:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliedneytarqgakfpikwtapeaalyg
    rftiksdvwsfgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcq
    cwrkepeerptfeylqafledyftstepqyqpgenl
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e6eD (D:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliakfpikwtapeaalygrftiksdvws
    fgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcqcwrkepeerp
    tfeylqafledyftstepqyqpgenl
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >6e6eE (E:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliedneytarqgakfpikwtapeaalyg
    rftiksdvwsfgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcq
    cwrkepeerptfeylqafledyftstepqyqpgenl
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e6eE (E:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliakfpikwtapeaalygrftiksdvws
    fgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcqcwrkepeerp
    tfeylqafledyftstepqyqpgenl
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >6e6eF (F:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliedneytarqgakfpikwtapeaalyg
    rftiksdvwsfgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcq
    cwrkepeerptfeylqafledyftstepqyqpgenl
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e6eF (F:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliakfpikwtapeaalygrftiksdvws
    fgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcqcwrkepeerp
    tfeylqafledyftstepqyqpgenl
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >6e6eG (G:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliedneytarqgakfpikwtapeaalyg
    rftiksdvwsfgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcq
    cwrkepeerptfeylqafledyftstepqyqpgenl
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e6eG (G:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarlifpikwtapeaalygrftiksdvwsfg
    illtelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcqcwrkepeerptf
    eylqafledyftstepqyqpgenl
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >6e6eH (H:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarliedneytarqgakfpikwtapeaalyg
    rftiksdvwsfgilltelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcq
    cwrkepeerptfeylqafledyftstepqyqpgenl
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e6eH (H:)
    daweipreslrlevklgqgcfgevwmgtwngttrvaiktlkpgtmspeaflqeaqvmkkl
    rheklvqlyavvseepiyivteymskgslldflkgetgkylrlpqlvdmaaqiasgmayv
    ermnyvhrdlraanilvgenlvckvadfglarlifpikwtapeaalygrftiksdvwsfg
    illtelttkgrvpypgmvnrevldqvergyrmpcppecpeslhdlmcqcwrkepeerptf
    eylqafledyftstepqyqpgenl