PDB entry 4mik

View 4mik on RCSB PDB site
Description: Crystal Structure of hPNMT in Complex with bisubstrate inhibitor (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((2-(((7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)amino)ethyl)thio)methyl)tetrahydrofuran-3,4-diol
Class: transferase/transferase inhibitor
Keywords: methyltransferase, adrenaline synthesis, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-08-31, released 2014-09-10
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-01-24, with a file datestamp of 2018-01-19.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: N/A
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Phenylethanolamine N-methyltransferase
    Species: Homo sapiens [TaxId:9606]
    Gene: PNMT, PENT
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4mika_
  • Chain 'B':
    Compound: Phenylethanolamine N-methyltransferase
    Species: Homo sapiens [TaxId:9606]
    Gene: PNMT, PENT
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4mikb_
  • Heterogens: JIL, TRS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4mikA (A:)
    msgadrspnagaapdsapgqaavasayqrfepraylrnnyapprgdlcnpngvgpwklrc
    laqtfatgevsgrtlidigsgptvyqllsacshfeditmtdflevnrqelgrwlqeepga
    fnwsmysqhacliegkgecwqdkerqlrarvkrvlpidvhqpqplgagspaplpadalvs
    afcleavspdlasfqraldhittllrpgghllligaleeswylagearltvvpvseeevr
    ealvrsgykvrdlrtyimpahlqtgvddvkgvffawaqkvglehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mikA (A:)
    ayqrfepraylrnnyapprgdlcnpngvgpwklrclaqtfatgevsgrtlidigsgptvy
    qllsacshfeditmtdflevnrqelgrwlqeepgafnwsmysqhacliegkgecwqdker
    qlrarvkrvlpidvhqpqplgagspaplpadalvsafcleavspdlasfqraldhittll
    rpgghllligaleeswylagearltvvpvseeevrealvrsgykvrdlrtyimpahlqtg
    vddvkgvffawaqkv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4mikB (B:)
    msgadrspnagaapdsapgqaavasayqrfepraylrnnyapprgdlcnpngvgpwklrc
    laqtfatgevsgrtlidigsgptvyqllsacshfeditmtdflevnrqelgrwlqeepga
    fnwsmysqhacliegkgecwqdkerqlrarvkrvlpidvhqpqplgagspaplpadalvs
    afcleavspdlasfqraldhittllrpgghllligaleeswylagearltvvpvseeevr
    ealvrsgykvrdlrtyimpahlqtgvddvkgvffawaqkvglehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mikB (B:)
    sapgqaavasayqrfepraylrnnyapprgdlcnpngvgpwklrclaqtfatgevsgrtl
    idigsgptvyqllsacshfeditmtdflevnrqelgrwlqeepgafnwsmysqhaclieg
    kgecwqdkerqlrarvkrvlpidvhqpqplgagspaplpadalvsafcleavspdlasfq
    raldhittllrpgghllligaleeswylagearltvvpvseeevrealvrsgykvrdlrt
    yimpahlqtgvddvkgvffawaqkv