PDB entry 6ehh

View 6ehh on RCSB PDB site
Description: Crystal structure of mouse MTH1 mutant L116M with inhibitor TH588
Class: hydrolase
Keywords: Inhibitor, mutant, MTH1, mouse, HYDROLASE
Deposited on 2017-09-13, released 2018-01-10
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-02-14, with a file datestamp of 2018-02-09.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: N/A
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 7,8-dihydro-8-oxoguanine triphosphatase
    Species: Mus musculus [TaxId:10090]
    Gene: NUDT1, MTH1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P53368
      • engineered mutation (135)
    Domains in SCOPe 2.07: d6ehha_
  • Chain 'B':
    Compound: 7,8-dihydro-8-oxoguanine triphosphatase
    Species: Mus musculus [TaxId:10090]
    Gene: NUDT1, MTH1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P53368
      • engineered mutation (135)
    Domains in SCOPe 2.07: d6ehhb_
  • Chain 'C':
    Compound: 7,8-dihydro-8-oxoguanine triphosphatase
    Species: Mus musculus [TaxId:10090]
    Gene: NUDT1, MTH1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P53368
      • engineered mutation (135)
    Domains in SCOPe 2.07: d6ehhc_
  • Chain 'D':
    Compound: 7,8-dihydro-8-oxoguanine triphosphatase
    Species: Mus musculus [TaxId:10090]
    Gene: NUDT1, MTH1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P53368 (Start-175)
      • engineered mutation (135)
    Domains in SCOPe 2.07: d6ehhd_
  • Heterogens: 2GE, NO3, PEG, GOL, CU, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6ehhA (A:)
    mgsshhhhhhssglvprgshmstsrlytlvlvlqpqrvllgmkkrgfgagrwngfggkvq
    egetiedgakrelleesglsvdtlhkvghisfefvgspelmdvhifsadhvhgtptesee
    mrpqwfqldqipfadmwpddsywfplllqkkkfcghfkfqdqdtilsyslrevdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6ehhA (A:)
    stsrlytlvlvlqpqrvllgmkkrgfgagrwngfggkvqegetiedgakrelleesglsv
    dtlhkvghisfefvgspelmdvhifsadhvhgtpteseemrpqwfqldqipfadmwpdds
    ywfplllqkkkfcghfkfqdqdtilsyslrevds
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6ehhB (B:)
    mgsshhhhhhssglvprgshmstsrlytlvlvlqpqrvllgmkkrgfgagrwngfggkvq
    egetiedgakrelleesglsvdtlhkvghisfefvgspelmdvhifsadhvhgtptesee
    mrpqwfqldqipfadmwpddsywfplllqkkkfcghfkfqdqdtilsyslrevdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6ehhB (B:)
    tsrlytlvlvlqpqrvllgmkkrgfgagrwngfggkvqegetiedgakrelleesglsvd
    tlhkvghisfefvgspelmdvhifsadhvhgtpteseemrpqwfqldqipfadmwpddsy
    wfplllqkkkfcghfkfqdqdtilsyslrevd
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6ehhC (C:)
    mgsshhhhhhssglvprgshmstsrlytlvlvlqpqrvllgmkkrgfgagrwngfggkvq
    egetiedgakrelleesglsvdtlhkvghisfefvgspelmdvhifsadhvhgtptesee
    mrpqwfqldqipfadmwpddsywfplllqkkkfcghfkfqdqdtilsyslrevdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6ehhC (C:)
    tsrlytlvlvlqpqrvllgmkkrgfgagrwngfggkvqegetiedgakrelleesglsvd
    tlhkvghisfefvgspelmdvhifsadhvhgtpteseemrpqwfqldqipfadmwpddsy
    wfplllqkkkfcghfkfqdqdtilsyslrevd
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6ehhD (D:)
    mgsshhhhhhssglvprgshmstsrlytlvlvlqpqrvllgmkkrgfgagrwngfggkvq
    egetiedgakrelleesglsvdtlhkvghisfefvgspelmdvhifsadhvhgtptesee
    mrpqwfqldqipfadmwpddsywfplllqkkkfcghfkfqdqdtilsyslrevdsf
    

    Sequence, based on observed residues (ATOM records): (download)
    >6ehhD (D:)
    tsrlytlvlvlqpqrvllgmkkrgfgagrwngfggkvqegetiedgakrelleesglsvd
    tlhkvghisfefvgspelmdvhifsadhvhgtpteseemrpqwfqldqipfadmwpddsy
    wfplllqkkkfcghfkfqdqdtilsyslrevdsf