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2UWD

Inhibition of the HSP90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole, isoxazole amide analogs

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
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A1225
ChainResidue
AASP86
AARG87
AHIS189

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A1226
ChainResidue
AARG60
AILE110
ASER113
AHOH2100
AHOH2175

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A1227
ChainResidue
AHOH2300
AHOH2304
AASP54

site_idAC4
Number of Residues19
DetailsBINDING SITE FOR RESIDUE 2GG A1228
ChainResidue
ALEU48
AASN51
ASER52
AALA55
ALYS58
AASP93
AILE96
AGLY97
AMET98
AASP102
ALEU107
AGLY108
APHE138
ATHR184
AVAL186
AHOH2157
AHOH2173
AHOH2305
AHOH2308

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 Residues3
DetailsBINDING:
ChainResidueDetails
ASER52
ATHR94
ATYR139

site_idSWS_FT_FI2
Number of Residues1
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ASER113

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphothreonine; by PRKDC => ECO:0000269|PubMed:2507541
ChainResidueDetails
AGLN6
AGLN8

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P07901
ChainResidueDetails
AILE59
AGLN85

site_idSWS_FT_FI5
Number of Residues1
DetailsMOD_RES: Phosphoserine => ECO:0000269|PubMed:2492519, ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18318008, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569
ChainResidueDetails
AASP232

218853

PDB entries from 2024-04-24

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