PDB entry 6chh

View 6chh on RCSB PDB site
Description: Structure of human NNMT in complex with bisubstrate inhibitor MS2756
Class: transferase/transferase inhibitor
Keywords: protein-small molecule bisubstrate inhibitor complex, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2018-02-22, released 2018-06-13
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-06-13, with a file datestamp of 2018-06-08.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Nicotinamide N-methyltransferase
    Species: Homo sapiens [TaxId:9606]
    Gene: Nnmt
    Database cross-references and differences (RAF-indexed):
    • Uniprot P40261 (19-End)
      • expression tag (10-18)
      • engineered mutation (118-119)
      • engineered mutation (121)
    Domains in SCOPe 2.07: d6chha1, d6chha2
  • Chain 'B':
    Compound: Nicotinamide N-methyltransferase
    Species: Homo sapiens [TaxId:9606]
    Gene: Nnmt
    Database cross-references and differences (RAF-indexed):
    • Uniprot P40261 (19-End)
      • expression tag (10-18)
      • engineered mutation (118-119)
      • engineered mutation (121)
    Domains in SCOPe 2.07: d6chhb1, d6chhb2
  • Chain 'C':
    Compound: Nicotinamide N-methyltransferase
    Species: Homo sapiens [TaxId:9606]
    Gene: Nnmt
    Database cross-references and differences (RAF-indexed):
    • Uniprot P40261
      • engineered mutation (118-119)
      • engineered mutation (121)
    Domains in SCOPe 2.07: d6chhc_
  • Chain 'D':
    Compound: Nicotinamide N-methyltransferase
    Species: Homo sapiens [TaxId:9606]
    Gene: Nnmt
    Database cross-references and differences (RAF-indexed):
    • Uniprot P40261
      • engineered mutation (118-119)
      • engineered mutation (121)
    Domains in SCOPe 2.07: d6chhd_
  • Heterogens: F0P, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6chhA (A:)
    mgsshhhhhhssglvprgsmesgftskdtylshfnprdylekyykfgsrhsaesqilkhl
    lknlfkifcldgvkgdllidigsgptiyqllsacesfkeivvtdysdqnlqelekwlkaa
    paafdwspvvtyvcdlegnrvkgpekeeklrqavkqvlkcdvtqsqplgavplppadcvl
    stlcldaacpdlptycralrnlgsllkpggflvimdalkssyymigeqkfsslplgreav
    eaavkeagytiewfevisqsysstmanneglfslvarklsrpl
    

    Sequence, based on observed residues (ATOM records): (download)
    >6chhA (A:)
    ssglvprgsmesgftskdtylshfnprdylekyyksrhsaesqilkhllknlfkifcldg
    vkgdllidigsgptiyqllsacesfkeivvtdysdqnlqelekwlkaapaafdwspvvty
    vcdlegnrvkgpekeeklrqavkqvlkcdvtqsqplgavplppadcvlstlcldaacpdl
    ptycralrnlgsllkpggflvimdalkssyymigeqkfsslplgreaveaavkeagytie
    wfevisqsysstmanneglfslvarklsr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6chhB (B:)
    mgsshhhhhhssglvprgsmesgftskdtylshfnprdylekyykfgsrhsaesqilkhl
    lknlfkifcldgvkgdllidigsgptiyqllsacesfkeivvtdysdqnlqelekwlkaa
    paafdwspvvtyvcdlegnrvkgpekeeklrqavkqvlkcdvtqsqplgavplppadcvl
    stlcldaacpdlptycralrnlgsllkpggflvimdalkssyymigeqkfsslplgreav
    eaavkeagytiewfevisqsysstmanneglfslvarklsrpl
    

    Sequence, based on observed residues (ATOM records): (download)
    >6chhB (B:)
    ssglvprgsmesgftskdtylshfnprdylekyykhsaesqilkhllknlfkifcldgvk
    gdllidigsgptiyqllsacesfkeivvtdysdqnlqelekwlkaapaafdwspvvtyvc
    dlegnrvkgpekeeklrqavkqvlkcdvtqsqplgavplppadcvlstlcldaacpdlpt
    ycralrnlgsllkpggflvimdalkssyymigeqkfsslplgreaveaavkeagytiewf
    evisqsysstmanneglfslvarklsr
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6chhC (C:)
    mgsshhhhhhssglvprgsmesgftskdtylshfnprdylekyykfgsrhsaesqilkhl
    lknlfkifcldgvkgdllidigsgptiyqllsacesfkeivvtdysdqnlqelekwlkaa
    paafdwspvvtyvcdlegnrvkgpekeeklrqavkqvlkcdvtqsqplgavplppadcvl
    stlcldaacpdlptycralrnlgsllkpggflvimdalkssyymigeqkfsslplgreav
    eaavkeagytiewfevisqsysstmanneglfslvarklsrpl
    

    Sequence, based on observed residues (ATOM records): (download)
    >6chhC (C:)
    nprdylekyykfghsaesqilkhllknlfkifcldgvkgdllidigsgptiyqllsaces
    fkeivvtdysdqnlqelekwlkaapaafdwspvvtyvcdlegnrvkgpekeeklrqavkq
    vlkcdvtqsqplgavplppadcvlstlcldaacpdlptycralrnlgsllkpggflvimd
    alkssyymigeqkfsslplgreaveaavkeagytiewfevisqsysstmanneglfslva
    rkls
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6chhD (D:)
    mgsshhhhhhssglvprgsmesgftskdtylshfnprdylekyykfgsrhsaesqilkhl
    lknlfkifcldgvkgdllidigsgptiyqllsacesfkeivvtdysdqnlqelekwlkaa
    paafdwspvvtyvcdlegnrvkgpekeeklrqavkqvlkcdvtqsqplgavplppadcvl
    stlcldaacpdlptycralrnlgsllkpggflvimdalkssyymigeqkfsslplgreav
    eaavkeagytiewfevisqsysstmanneglfslvarklsrpl
    

    Sequence, based on observed residues (ATOM records): (download)
    >6chhD (D:)
    nprdylekyykrhsaesqilkhllknlfkifcldgvkgdllidigsgptiyqllsacesf
    keivvtdysdqnlqelekwlkaapaafdwspvvtyvcdlegnrvkgpekeeklrqavkqv
    lkcdvtqsqplgavplppadcvlstlcldaacpdlptycralrnlgsllkpggflvimda
    lkssyymigeqkfsslplgreaveaavkeagytiewfevisqsysstmanneglfslvar
    kls