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