Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3R4P

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

Functional Information from GO Data
ChainGOidnamespacecontents
A0005524molecular_functionATP binding
A0006457biological_processprotein folding
A0016887molecular_functionATP hydrolysis activity
A0051082molecular_functionunfolded protein binding
A0140662molecular_functionATP-dependent protein folding chaperone
B0005524molecular_functionATP binding
B0006457biological_processprotein folding
B0016887molecular_functionATP hydrolysis activity
B0051082molecular_functionunfolded protein binding
B0140662molecular_functionATP-dependent protein folding chaperone
Functional Information from PDB Data
site_idAC1
Number of Residues18
DetailsBINDING SITE FOR RESIDUE FU7 A 901
ChainResidue
AHOH6
AGLY97
AMET98
AASP102
AASN106
ALEU107
APHE138
ATHR184
AHOH377
APO4903
AHOH7
AASN51
ASER52
AASP54
AALA55
ALYS58
AASP93
AILE96

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE PO4 A 902
ChainResidue
AGLU200
AARG201
AHOH249
AHOH284
AHOH314
AHOH329
AHOH366
BGLU62
BLYS69
BHIS154

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 903
ChainResidue
ATHR99
AASP102
AHIS154
AHOH253
AHOH257
AFU7901

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 904
ChainResidue
AGLU62
ALYS69
AHIS154
AHOH257
AHOH268
AHOH395

site_idAC5
Number of Residues18
DetailsBINDING SITE FOR RESIDUE FU7 B 901
ChainResidue
BHOH3
BASN51
BSER52
BASP54
BALA55
BLYS58
BASP93
BILE96
BGLY97
BMET98
BASP102
BASN106
BLEU107
BPHE138
BTHR184
BHOH237
BHOH239
BHOH242

Functional Information from PROSITE/UniProt
site_idPS00298
Number of Residues10
DetailsHSP90 Heat shock hsp90 proteins family signature. YsNKEIFLRE
ChainResidueDetails
ATYR38-GLU47

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsBINDING:
ChainResidueDetails
AASN51
AASP93
APHE138
BASN51
BASP93
BPHE138

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ALYS112
BLYS112

site_idSWS_FT_FI3
Number of Residues4
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P07901
ChainResidueDetails
ALYS58
ALYS84
BLYS58
BLYS84

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon