PDB entry 4fcp
View 4fcp on RCSB PDB site
Description: Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
Class: chaperone
Keywords: Hsp90, Heat Shock Protein, ATPase, Structure-based ligand design, fragment structural studies, CHAPERONE
Deposited on
2012-05-25, released
2012-10-24
The last revision prior to the SCOPe 2.07 freeze date was dated
2012-11-07, with a file datestamp of
2012-11-02.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.242
AEROSPACI score: 0.37
(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: d4fcpa_ - 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: d4fcpb_ - Heterogens: 42C, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>4fcpA (A:)
mpeetqtqdqpmeeeevetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkir
yesltdpskldsgkelhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafme
alqagadismigqfgvgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepm
grgtkvilhlkedqteyleerrikeivkkhsqfigypitlfvekerdkevsddeae
Sequence, based on observed residues (ATOM records): (download)
>4fcpA (A:)
evetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdpskldsgke
lhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafmealqagadismigqfg
vgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvilhlkedqt
eyleerrikeivkkhsqfigypitlfve
- Chain 'B':
Sequence, based on SEQRES records: (download)
>4fcpB (B:)
mpeetqtqdqpmeeeevetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkir
yesltdpskldsgkelhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafme
alqagadismigqfgvgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepm
grgtkvilhlkedqteyleerrikeivkkhsqfigypitlfvekerdkevsddeae
Sequence, based on observed residues (ATOM records): (download)
>4fcpB (B:)
evetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdpskldsgke
lhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafmealqagadismigqfg
vgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvilhlkedqt
eyleerrikeivkkhsqfigypitlfve