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7BMK

ATP-Competitive Partial Antagonists-'PAIR's-Rheostatically Modulate IRE1alpha's Kinase Helix-alphaC to Segregate its RNase-Mediated Biological Outputs

Functional Information from GO Data
ChainGOidnamespacecontents
A0004521molecular_functionRNA endonuclease activity
A0004540molecular_functionRNA nuclease activity
A0004672molecular_functionprotein kinase activity
A0004674molecular_functionprotein serine/threonine kinase activity
A0005524molecular_functionATP binding
A0006397biological_processmRNA processing
A0006468biological_processprotein phosphorylation
A0030968biological_processendoplasmic reticulum unfolded protein response
B0004521molecular_functionRNA endonuclease activity
B0004540molecular_functionRNA nuclease activity
B0004672molecular_functionprotein kinase activity
B0004674molecular_functionprotein serine/threonine kinase activity
B0005524molecular_functionATP binding
B0006397biological_processmRNA processing
B0006468biological_processprotein phosphorylation
B0030968biological_processendoplasmic reticulum unfolded protein response
Functional Information from PDB Data
site_idAC1
Number of Residues17
Detailsbinding site for residue U4N A 1001
ChainResidue
AALA597
AALA646
AGLU651
ASER710
AASP711
APHE712
AHOH1110
AHOH1146
AHOH1174
ALYS599
AGLU612
ALEU616
ATYR628
AILE640
AILE642
AGLU643
ACYS645

site_idAC2
Number of Residues7
Detailsbinding site for residue GOL A 1002
ChainResidue
ALEU827
ALYS828
APHE832
ATRP833
ALYS837
AHOH1115
AHOH1116

site_idAC3
Number of Residues6
Detailsbinding site for residue GOL A 1003
ChainResidue
AGLU807
AHIS829
ATYR945
AARG946
AGLU949
AHOH1152

site_idAC4
Number of Residues3
Detailsbinding site for residue GOL A 1004
ChainResidue
AASP575
AARG588
AHOH1362

site_idAC5
Number of Residues4
Detailsbinding site for residue EDO A 1005
ChainResidue
AHIS660
ALEU661
AMET698
APRO699

site_idAC6
Number of Residues3
Detailsbinding site for residue EDO A 1006
ChainResidue
AMET698
AASN700
AHOH1151

site_idAC7
Number of Residues5
Detailsbinding site for residue GOL A 1007
ChainResidue
AHIS680
AASN683
ATYR753
AHOH1229
AHOH1276

site_idAC8
Number of Residues8
Detailsbinding site for residue EDO A 1008
ChainResidue
ASER769
AGLU770
AGLY771
ASER772
AHIS796
AGLU798
ALYS871
AHOH1104

site_idAC9
Number of Residues6
Detailsbinding site for residue GOL A 1009
ChainResidue
ALYS777
ASER778
AARG781
AHOH1188
AHOH1366
BARG635

site_idAD1
Number of Residues6
Detailsbinding site for residue GOL A 1010
ChainResidue
AILE768
ASER769
ACYS794
AHIS796
AASP802
AHOH1306

site_idAD2
Number of Residues5
Detailsbinding site for residue EDO A 1011
ChainResidue
AASP847
AARG905
BGLN843
BASP847
BARG905

site_idAD3
Number of Residues4
Detailsbinding site for residue EDO A 1012
ChainResidue
ASER924
ALEU925
AASP927
AASP928

site_idAD4
Number of Residues3
Detailsbinding site for residue EDO A 1013
ChainResidue
AHIS702
AGLY703
ALYS704

site_idAD5
Number of Residues5
Detailsbinding site for residue EDO A 1014
ChainResidue
ASER681
ALEU682
AASN683
ALYS717
BHIS702

site_idAD6
Number of Residues5
Detailsbinding site for residue EDO A 1015
ChainResidue
AGLN840
ALYS908
BGLN840
BASP844
BHOH1160

site_idAD7
Number of Residues6
Detailsbinding site for residue GOL A 1016
ChainResidue
APRO774
APHE775
AGLY776
AASN784
AALA789
AHOH1166

site_idAD8
Number of Residues7
Detailsbinding site for residue GOL A 1017
ChainResidue
BHOH1191
AARG727
AARG728
BLYS716
BARG722
BPHE725
BSER726

site_idAD9
Number of Residues5
Detailsbinding site for residue EDO A 1018
ChainResidue
APRO797
AARG806
AHIS939
AHOH1215
AHOH1345

site_idAE1
Number of Residues5
Detailsbinding site for residue EDO A 1019
ChainResidue
ATRP833
AGLN838
AHOH1223
AHOH1294
AHOH1347

site_idAE2
Number of Residues2
Detailsbinding site for residue EDO A 1020
ChainResidue
APRO732
AGLU735

site_idAE3
Number of Residues5
Detailsbinding site for residue PEG A 1021
ChainResidue
AGLN818
ALYS819
AARG820
AHIS825
AHOH1152

site_idAE4
Number of Residues16
Detailsbinding site for residue U4N B 1001
ChainResidue
BVAL586
BALA597
BLYS599
BGLU612
BLEU616
BILE640
BILE642
BGLU643
BCYS645
BGLU651
BSER710
BASP711
BPHE712
BHOH1116
BHOH1123
BHOH1249

site_idAE5
Number of Residues4
Detailsbinding site for residue GOL B 1002
ChainResidue
AARG905
AHIS909
BARG905
BHIS910

site_idAE6
Number of Residues4
Detailsbinding site for residue EDO B 1003
ChainResidue
BSER681
BLYS824
BPEG1004
BHOH1172

site_idAE7
Number of Residues6
Detailsbinding site for residue PEG B 1004
ChainResidue
AASN700
ALYS704
BGLU621
BHIS678
BEDO1003
BHOH1101

site_idAE8
Number of Residues6
Detailsbinding site for residue GOL B 1005
ChainResidue
BCYS790
BSER791
BLEU792
BARG806
BGLU810
BGLU913

site_idAE9
Number of Residues6
Detailsbinding site for residue PEG B 1006
ChainResidue
AARG955
BSER924
BLEU925
BPRO926
BASP927
BASP928

site_idAF1
Number of Residues6
Detailsbinding site for residue PGE B 1007
ChainResidue
BGLU863
BGLY865
BGLY866
BARG867
BASP928
BHOH1125

site_idAF2
Number of Residues5
Detailsbinding site for residue EDO B 1008
ChainResidue
AHIS579
BPRO603
BSER607
BHOH1136
BHOH1203

site_idAF3
Number of Residues4
Detailsbinding site for residue PEG B 1009
ChainResidue
BHIS622
BSER674
BALA677
BLYS824

site_idAF4
Number of Residues7
Detailsbinding site for residue EDO B 1010
ChainResidue
BASP620
BHIS622
BPRO623
BVAL625
BGLU643
BLYS706
BMET708

site_idAF5
Number of Residues4
Detailsbinding site for residue EDO B 1011
ChainResidue
BSER697
BMET698
BLYS704
BLYS706

site_idAF6
Number of Residues5
Detailsbinding site for residue EDO B 1012
ChainResidue
BTHR921
BLEU922
BASP928
BEDO1013
BHOH1252

site_idAF7
Number of Residues4
Detailsbinding site for residue EDO B 1013
ChainResidue
BSER935
BARG936
BEDO1012
BHOH1143

site_idAF8
Number of Residues6
Detailsbinding site for residue EDO B 1014
ChainResidue
BLEU827
BLYS828
BPHE832
BTRP833
BLYS837
BHOH1241

site_idAF9
Number of Residues2
Detailsbinding site for residue EDO B 1015
ChainResidue
BGLU618
BLYS717

Functional Information from PROSITE/UniProt
site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IvHrDLKphNILI
ChainResidueDetails
AILE684-ILE696

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000250|UniProtKB:P32361, ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
AASP688
BASP688

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P32361, ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALEU577
BLEU577

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000269|PubMed:21317875, ECO:0000269|PubMed:9637683, ECO:0007744|PDB:3P23
ChainResidueDetails
ALYS599
BLYS599

site_idSWS_FT_FI4
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:21317875, ECO:0007744|PDB:3P23
ChainResidueDetails
AGLU643
ALYS690
AASP711
BGLU643
BLYS690
BASP711

site_idSWS_FT_FI5
Number of Residues2
DetailsSITE: Interacts with hydroxy-aryl-aldehyde inhibitors => ECO:0000250|UniProtKB:Q9EQY0
ChainResidueDetails
ATYR892
BTYR892

site_idSWS_FT_FI6
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0000269|PubMed:30118681
ChainResidueDetails
ASER724
ASER729
BSER724
BSER729

site_idSWS_FT_FI7
Number of Residues2
DetailsMOD_RES: Phosphothreonine => ECO:0007744|PubMed:19369195
ChainResidueDetails
ATHR973
BTHR973

226262

PDB entries from 2024-10-16

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