PDB entry 3r4n
View 3r4n on RCSB PDB site
Description: Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
Class: Chaperone/Chaperone inhibitor
Keywords: Chaperone, ATP binding, Chaperone-Chaperone inhibitor complex
Deposited on
2011-03-17, released
2011-04-27
The last revision prior to the SCOPe 2.07 freeze date was dated
2012-04-11, with a file datestamp of
2012-04-06.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.188
AEROSPACI score: 0.46
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Heat shock protein HSP 90-alpha
Species: Homo sapiens [TaxId:9606]
Gene: HSP90AA1, HSP90A, HSPC1, HSPCA
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d3r4na1, d3r4na2 - Chain 'B':
Compound: Heat shock protein HSP 90-alpha
Species: Homo sapiens [TaxId:9606]
Gene: HSP90AA1, HSP90A, HSPC1, HSPCA
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d3r4nb1, d3r4nb2 - Heterogens: FU5, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3r4nA (A:)
mdqpmeeeevetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdp
skldsgkelhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafmealqagad
ismigqfgvgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvi
lhlkedqteyleerrikeivkkhsqfigypitlfvekelehhhhhh
Sequence, based on observed residues (ATOM records): (download)
>3r4nA (A:)
qpmeeeevetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdpsk
ldsgkelhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafmealqagadis
migqfgvgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvilh
lkedqteyleerrikeivkkhsqfigypitlfvekelehhh
- Chain 'B':
Sequence, based on SEQRES records: (download)
>3r4nB (B:)
mdqpmeeeevetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdp
skldsgkelhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafmealqagad
ismigqfgvgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvi
lhlkedqteyleerrikeivkkhsqfigypitlfvekelehhhhhh
Sequence, based on observed residues (ATOM records): (download)
>3r4nB (B:)
dqpmeeeevetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdps
kldsgkelhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafmealqagadi
smigqfgvgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvil
hlkedqteyleerrikeivkkhsqfigypitlfvekelehhhh