PDB entry 6ws1

View 6ws1 on RCSB PDB site
Description: Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)propyl)amino)butanoic acid and AdoHcy (SAH)
Class: transferase
Keywords: Transition state analogue, Chemical synthesis, Drug design, Structural Biology, neurodegenerative disease, PNMT, TRANSFERASE
Deposited on 2020-04-30, released 2020-08-05
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-09-02, with a file datestamp of 2020-08-28.
Experiment type: XRAY
Resolution: 2.76 Å
R-factor: N/A
AEROSPACI score: 0.22 (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: d6ws1a_
  • 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: d6ws1b_
  • Heterogens: CD, EDO, K, U87, SAH, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6ws1A (A:)
hhhhhhlvprgsmsgadrspnagaapdsapgqaavasayqrfepraylrnnyapprgdlc
npngvgpwklrclaqtfatgevsgrtlidigsgptvyqllsacshfeditmtdflevnrq
elgrwlqeepgafnwsmysqhacliegkgecwqdkerqlrarvkrvlpidvhqpqplgag
spaplpadalvsafcleavspdlasfqraldhittllrpgghllligaleeswylagear
ltvvpvseeevrealvrsgykvrdlrtyimpahlqtgvddvkgvffawaqkvgl

    Sequence, based on observed residues (ATOM records): (download) 
    >6ws1A (A:)
aavasayqrfepraylrnnyapprgdlcnpngvgpwklrclaqtfatgevsgrtlidigs
gptvyqllsacshfeditmtdflevnrqelgrwlqeepgafnwsmysqhacliegkgecw
qdkerqlrarvkrvlpidvhqpqplgagspaplpadalvsafcleavspdlasfqraldh
ittllrpgghllligaleeswylagearltvvpvseeevrealvrsgykvrdlrtyimpa
hlqtgvddvkgvffawaqkv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6ws1B (B:)
hhhhhhlvprgsmsgadrspnagaapdsapgqaavasayqrfepraylrnnyapprgdlc
npngvgpwklrclaqtfatgevsgrtlidigsgptvyqllsacshfeditmtdflevnrq
elgrwlqeepgafnwsmysqhacliegkgecwqdkerqlrarvkrvlpidvhqpqplgag
spaplpadalvsafcleavspdlasfqraldhittllrpgghllligaleeswylagear
ltvvpvseeevrealvrsgykvrdlrtyimpahlqtgvddvkgvffawaqkvgl

    Sequence, based on observed residues (ATOM records): (download) 
    >6ws1B (B:)
dsapgqaavasayqrfepraylrnnyapprgdlcnpngvgpwklrclaqtfatgevsgrt
lidigsgptvyqllsacshfeditmtdflevnrqelgrwlqeepgafnwsmysqhaclie
gkgecwqdkerqlrarvkrvlpidvhqpqplgagspaplpadalvsafcleavspdlasf
qraldhittllrpgghllligaleeswylagearltvvpvseeevrealvrsgykvrdlr
tyimpahlqtgvddvkgvffawaqkv