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6ASQ

Structure of Grp94 bound to methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate, a pan-Hsp90 inhibitor

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 Residues9
Detailsbinding site for residue PE8 A 401
ChainResidue
AASN83
ALYS87
AILE90
ASER227
AASN228
BASN83
BLYS87
BSER227
BASN228

site_idAC2
Number of Residues2
Detailsbinding site for residue PE8 A 402
ChainResidue
ALEU117
ATHR121

site_idAC3
Number of Residues3
Detailsbinding site for residue PE8 A 403
ChainResidue
ALYS137
ATRP333
APE8404

site_idAC4
Number of Residues5
Detailsbinding site for residue PE8 A 404
ChainResidue
ATHR212
AARG237
ATHR240
ATHR248
APE8403

site_idAC5
Number of Residues7
Detailsbinding site for residue PE8 A 405
ChainResidue
AASN129
ALYS135
ATHR148
ATHR150
ALEU241
AHOH502
AHOH512

site_idAC6
Number of Residues2
Detailsbinding site for residue PE8 A 406
ChainResidue
AGLU131
ATRP333

site_idAC7
Number of Residues6
Detailsbinding site for residue PEG A 407
ChainResidue
ALYS214
AASN217
AASP218
BASP262
BASN266
BPE8406

site_idAC8
Number of Residues1
Detailsbinding site for residue PEG A 408
ChainResidue
AASN239

site_idAC9
Number of Residues1
Detailsbinding site for residue PE8 A 409
ChainResidue
AASN276

site_idAD1
Number of Residues3
Detailsbinding site for residue GOL A 410
ChainResidue
AASP110
AASP113
ALYS114

site_idAD2
Number of Residues6
Detailsbinding site for residue GOL A 411
ChainResidue
AASP257
AASP262
ATHR263
BASP218
BTHR219
BHIS221

site_idAD3
Number of Residues15
Detailsbinding site for residue VC4 A 412
ChainResidue
ALEU104
AASN107
AASP110
AALA111
ALYS114
AASP149
AVAL152
AGLY153
AMET154
AASN162
APHE199
ATHR245
AILE247
AHOH501
AHOH513

site_idAD4
Number of Residues5
Detailsbinding site for residue PE8 B 401
ChainResidue
BLYS137
BHIS146
BTHR148
BTHR246
BPEG407

site_idAD5
Number of Residues3
Detailsbinding site for residue PE8 B 402
ChainResidue
BLEU335
BASN337
BPE8405

site_idAD6
Number of Residues8
Detailsbinding site for residue PE8 B 404
ChainResidue
BGLU131
BLYS135
BTHR148
BASP149
BTHR150
BLEU241
BARG243
BGLY244

site_idAD7
Number of Residues3
Detailsbinding site for residue PE8 B 405
ChainResidue
BASN276
BASN337
BPE8402

site_idAD8
Number of Residues4
Detailsbinding site for residue PE8 B 406
ChainResidue
AASP218
APEG407
BGLU98
BASP257

site_idAD9
Number of Residues3
Detailsbinding site for residue PEG B 407
ChainResidue
BTRP282
BTRP331
BPE8401

site_idAE1
Number of Residues2
Detailsbinding site for residue GOL B 408
ChainResidue
BASP110
BLYS114

site_idAE2
Number of Residues3
Detailsbinding site for residue GOL B 409
ChainResidue
BLYS135
BTYR280
BTRP333

site_idAE3
Number of Residues15
Detailsbinding site for residue VC4 B 410
ChainResidue
BMET154
BASN162
BPHE199
BTHR245
BILE247
BHOH501
BHOH510
BLEU104
BASN107
BASP110
BALA111
BLYS114
BASP149
BVAL152
BGLY153

Functional Information from PROSITE/UniProt
site_idPS00298
Number of Residues10
DetailsHSP90 Heat shock hsp90 proteins family signature. YkNKEIFLRE
ChainResidueDetails
ATYR94-GLU103

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15292259, ECO:0000269|PubMed:15951571, ECO:0000269|PubMed:17936703, ECO:0007744|PDB:1TC0, ECO:0007744|PDB:1TC6, ECO:0007744|PDB:1YT0, ECO:0007744|PDB:2O1U, ECO:0007744|PDB:2O1V
ChainResidueDetails
BASN107
AASN107

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:15292259, ECO:0000269|PubMed:15951571, ECO:0000269|PubMed:17936703, ECO:0007744|PDB:1TBW, ECO:0007744|PDB:1TC0, ECO:0007744|PDB:1TC6, ECO:0007744|PDB:1YT0, ECO:0007744|PDB:2O1U, ECO:0007744|PDB:2O1V
ChainResidueDetails
AASP149
BASP149
BPHE199
APHE199

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15292259, ECO:0000269|PubMed:15951571, ECO:0000269|PubMed:17936703, ECO:0007744|PDB:1TBW, ECO:0007744|PDB:1TC0, ECO:0007744|PDB:1TC6, ECO:0007744|PDB:2O1U, ECO:0007744|PDB:2O1V
ChainResidueDetails
AASN162
BASN162

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: N6-(2-hydroxyisobutyryl)lysine => ECO:0000250|UniProtKB:P14625
ChainResidueDetails
ALYS168
BLYS168

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q66HD0
ChainResidueDetails
ASER172
BSER172

site_idSWS_FT_FI6
Number of Residues4
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
BASN107
BASN217
AASN107
AASN217

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PDB entries from 2024-06-12

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