PDB entry 4mq4

View 4mq4 on RCSB PDB site
Description: Crystal Structure of hPNMT in Complex with bisubstrate inhibitor N-(3-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)propyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Class: transferase/transferase inhibitor
Keywords: adrenaline synthesis, methyltransferase, transferase-transferase inhibitor complex
Deposited on 2013-09-15, released 2014-10-15
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: 2.2 Å
R-factor: N/A
AEROSPACI score: 0.27 (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: d4mq4a_
  • 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: d4mq4b_
  • Heterogens: 2D5, TRS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4mq4A (A:)
msgadrspnagaapdsapgqaavasayqrfepraylrnnyapprgdlcnpngvgpwklrc
laqtfatgevsgrtlidigsgptvyqllsacshfeditmtdflevnrqelgrwlqeepga
fnwsmysqhacliegkgecwqdkerqlrarvkrvlpidvhqpqplgagspaplpadalvs
afcleavspdlasfqraldhittllrpgghllligaleeswylagearltvvpvseeevr
ealvrsgykvrdlrtyimpahlqtgvddvkgvffawaqkvglehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4mq4A (A:)
apgqaavasayqrfepraylrnnyapprgdlcnpngvgpwklrclaqtfatgevsgrtli
digsgptvyqllsacshfeditmtdflevnrqelgrwlqeepgafnwsmysqhacliegk
gecwqdkerqlrarvkrvlpidvhqpqplgagspaplpadalvsafcleavspdlasfqr
aldhittllrpgghllligaleeswylagearltvvpvseeevrealvrsgykvrdlrty
impahlqtgvddvkgvffawaqkv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4mq4B (B:)
msgadrspnagaapdsapgqaavasayqrfepraylrnnyapprgdlcnpngvgpwklrc
laqtfatgevsgrtlidigsgptvyqllsacshfeditmtdflevnrqelgrwlqeepga
fnwsmysqhacliegkgecwqdkerqlrarvkrvlpidvhqpqplgagspaplpadalvs
afcleavspdlasfqraldhittllrpgghllligaleeswylagearltvvpvseeevr
ealvrsgykvrdlrtyimpahlqtgvddvkgvffawaqkvglehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4mq4B (B:)
ayqrfepraylrnnyapprgdlcnpngvgpwklrclaqtfatgevsgrtlidigsgptvy
qllsacshfeditmtdflevnrqelgrwlqeepgafnwsmysqhacliegkgecwqdker
qlrarvkrvlpidvhqpqplgagspaplpadalvsafcleavspdlasfqraldhittll
rpgghllligaleeswylagearltvvpvseeevrealvrsgykvrdlrtyimpahlqtg
vddvkgvffawaqkv