PDB entry 7nbq

View 7nbq on RCSB PDB site
Description: Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (4)
Class: transferase
Keywords: Methyl Transferase, drug discovery, Inhibitor complex, Nicotinamide, metabolic disorders, TRANSFERASE
Deposited on 2021-01-27, released 2021-03-17
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-03-17, with a file datestamp of 2021-03-12.
Experiment type: XRAY
Resolution: 2.48 Å
R-factor: N/A
AEROSPACI score: 0.27 (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 2.08: d7nbqa1, d7nbqa2
  • 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 2.08: d7nbqb1, d7nbqb2
  • 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 2.08: d7nbqc_
  • 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 2.08: d7nbqd_
  • Heterogens: U72, SAH, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >7nbqA (A:)
mgsshhhhhhssglvprgsmesgftskdtylshfnprdylekyykfgsrhsaesqilkhl
lknlfkifcldgvkgdllidigsgptiyqllsacesfkeivvtdysdqnlqelekwlkaa
paafdwspvvtyvcdlegnrvkgpekeeklrqavkqvlkcdvtqsqplgavplppadcvl
stlcldaacpdlptycralrnlgsllkpggflvimdalkssyymigeqkfsslplgreav
eaavkeagytiewfevisqsysstmanneglfslvarklsrpl

    Sequence, based on observed residues (ATOM records): (download) 
    >7nbqA (A:)
ssglvprgsmesgftskdtylshfnprdylekyykfhsaesqilkhllknlfkifcldgv
kgdllidigsgptiyqllsacesfkeivvtdysdqnlqelekwlkaapaafdwspvvtyv
cdlegnrvkgpekeeklrqavkqvlkcdvtqsqplgavplppadcvlstlcldaacpdlp
tycralrnlgsllkpggflvimdalkssyymigeqkfsslplgreaveaavkeagytiew
fevisqsysstmanneglfslvarkl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >7nbqB (B:)
mgsshhhhhhssglvprgsmesgftskdtylshfnprdylekyykfgsrhsaesqilkhl
lknlfkifcldgvkgdllidigsgptiyqllsacesfkeivvtdysdqnlqelekwlkaa
paafdwspvvtyvcdlegnrvkgpekeeklrqavkqvlkcdvtqsqplgavplppadcvl
stlcldaacpdlptycralrnlgsllkpggflvimdalkssyymigeqkfsslplgreav
eaavkeagytiewfevisqsysstmanneglfslvarklsrpl

    Sequence, based on observed residues (ATOM records): (download) 
    >7nbqB (B:)
ssglvprgsmesgftskdtylshfnprdylekyykfsrhsaesqilkhllknlfkifcld
gvkgdllidigsgptiyqllsacesfkeivvtdysdqnlqelekwlkaapaafdwspvvt
yvcdlegnrvkgpekeeklrqavkqvlkcdvtqsqplgavplppadcvlstlcldaacpd
lptycralrnlgsllkpggflvimdalkssyymigeqkfsslplgreaveaavkeagyti
ewfevisqsysstmanneglfslvarkl

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >7nbqC (C:)
mgsshhhhhhssglvprgsmesgftskdtylshfnprdylekyykfgsrhsaesqilkhl
lknlfkifcldgvkgdllidigsgptiyqllsacesfkeivvtdysdqnlqelekwlkaa
paafdwspvvtyvcdlegnrvkgpekeeklrqavkqvlkcdvtqsqplgavplppadcvl
stlcldaacpdlptycralrnlgsllkpggflvimdalkssyymigeqkfsslplgreav
eaavkeagytiewfevisqsysstmanneglfslvarklsrpl

    Sequence, based on observed residues (ATOM records): (download) 
    >7nbqC (C:)
ftskdtylshfnprdylekyyksaesqilkhllknlfkifcldgvkgdllidigsgptiy
qllsacesfkeivvtdysdqnlqelekwlkaapaafdwspvvtyvcdlegnrvkgpekee
klrqavkqvlkcdvtqsqplgavplppadcvlstlcldaacpdlptycralrnlgsllkp
ggflvimdalkssyymigeqkfsslplgreaveaavkeagytiewfevisqsysstmann
eglfslvarkl

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >7nbqD (D:)
mgsshhhhhhssglvprgsmesgftskdtylshfnprdylekyykfgsrhsaesqilkhl
lknlfkifcldgvkgdllidigsgptiyqllsacesfkeivvtdysdqnlqelekwlkaa
paafdwspvvtyvcdlegnrvkgpekeeklrqavkqvlkcdvtqsqplgavplppadcvl
stlcldaacpdlptycralrnlgsllkpggflvimdalkssyymigeqkfsslplgreav
eaavkeagytiewfevisqsysstmanneglfslvarklsrpl

    Sequence, based on observed residues (ATOM records): (download) 
    >7nbqD (D:)
gftskdtylshfnprdylekyykfgsaesqilkhllknlfkifcldgvkgdllidigsgp
tiyqllsacesfkeivvtdysdqnlqelekwlkaapaafdwspvvtyvcdlegnrvkgpe
keeklrqavkqvlkcdvtqsqplgavplppadcvlstlcldaacpdlptycralrnlgsl
lkpggflvimdalkssyymigeqkfsslplgreaveaavkeagytiewfevisqsysstm
anneglfslvarkls