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2XJJ

Structure of HSP90 with small molecule inhibitor bound

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 Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1224
ChainResidue
AASN106
AGLY135
AVAL136
AGLY137
APHE138
ATYR139
AHOH2151
AHOH2257

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL B 1224
ChainResidue
BLYS112
BGLY135
BVAL136
BGLY137
BPHE138
BL811225
BHOH2186
BHOH2254
BHOH2255
BASN106

site_idAC3
Number of Residues14
DetailsBINDING SITE FOR RESIDUE L81 A 1225
ChainResidue
ALEU48
AASN51
AASP54
AALA55
ALYS58
AASP93
AILE96
AGLY97
AMET98
APHE138
ATHR184
AVAL186
AHOH2132
AHOH2258

site_idAC4
Number of Residues14
DetailsBINDING SITE FOR RESIDUE L81 B 1225
ChainResidue
BASN51
BASP54
BALA55
BLYS58
BASP93
BILE96
BGLY97
BMET98
BPHE138
BTHR184
BVAL186
BGOL1224
BHOH2068
BHOH2140

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

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0000269|PubMed:2492519, ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18318008, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569
ChainResidueDetails
ASER231
BSER231

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PDB entries from 2024-09-11

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