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4QTB

Structure of human ERK1 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket

Functional Information from GO Data
ChainGOidnamespacecontents
A0000165biological_processMAPK cascade
A0001784molecular_functionphosphotyrosine residue binding
A0004672molecular_functionprotein kinase activity
A0004674molecular_functionprotein serine/threonine kinase activity
A0004707molecular_functionMAP kinase activity
A0005515molecular_functionprotein binding
A0005524molecular_functionATP binding
A0005634cellular_componentnucleus
A0005635cellular_componentnuclear envelope
A0005654cellular_componentnucleoplasm
A0005737cellular_componentcytoplasm
A0005739cellular_componentmitochondrion
A0005769cellular_componentearly endosome
A0005770cellular_componentlate endosome
A0005788cellular_componentendoplasmic reticulum lumen
A0005794cellular_componentGolgi apparatus
A0005829cellular_componentcytosol
A0005856cellular_componentcytoskeleton
A0005886cellular_componentplasma membrane
A0005901cellular_componentcaveola
A0005925cellular_componentfocal adhesion
A0006351biological_processDNA-templated transcription
A0006468biological_processprotein phosphorylation
A0006915biological_processapoptotic process
A0006974biological_processDNA damage response
A0008286biological_processinsulin receptor signaling pathway
A0009887biological_processanimal organ morphogenesis
A0010759biological_processpositive regulation of macrophage chemotaxis
A0014032biological_processneural crest cell development
A0014044biological_processSchwann cell development
A0016020cellular_componentmembrane
A0016310biological_processphosphorylation
A0019233biological_processsensory perception of pain
A0019902molecular_functionphosphatase binding
A0030278biological_processregulation of ossification
A0030509biological_processBMP signaling pathway
A0030641biological_processregulation of cellular pH
A0030878biological_processthyroid gland development
A0031143cellular_componentpseudopodium
A0031281biological_processpositive regulation of cyclase activity
A0031663biological_processlipopolysaccharide-mediated signaling pathway
A0032212biological_processpositive regulation of telomere maintenance via telomerase
A0032496biological_processresponse to lipopolysaccharide
A0032872biological_processregulation of stress-activated MAPK cascade
A0034198biological_processcellular response to amino acid starvation
A0034614biological_processcellular response to reactive oxygen species
A0035556biological_processintracellular signal transduction
A0038083biological_processpeptidyl-tyrosine autophosphorylation
A0038133biological_processERBB2-ERBB3 signaling pathway
A0042473biological_processouter ear morphogenesis
A0042552biological_processmyelination
A0042770biological_processsignal transduction in response to DNA damage
A0042802molecular_functionidentical protein binding
A0043330biological_processresponse to exogenous dsRNA
A0045944biological_processpositive regulation of transcription by RNA polymerase II
A0048009biological_processinsulin-like growth factor receptor signaling pathway
A0048538biological_processthymus development
A0050804biological_processmodulation of chemical synaptic transmission
A0051216biological_processcartilage development
A0051403biological_processstress-activated MAPK cascade
A0051493biological_processregulation of cytoskeleton organization
A0051973biological_processpositive regulation of telomerase activity
A0060020biological_processBergmann glial cell differentiation
A0060324biological_processface development
A0060425biological_processlung morphogenesis
A0060440biological_processtrachea formation
A0061308biological_processcardiac neural crest cell development involved in heart development
A0070161cellular_componentanchoring junction
A0070371biological_processERK1 and ERK2 cascade
A0070374biological_processpositive regulation of ERK1 and ERK2 cascade
A0070498biological_processinterleukin-1-mediated signaling pathway
A0070849biological_processresponse to epidermal growth factor
A0071260biological_processcellular response to mechanical stimulus
A0071276biological_processcellular response to cadmium ion
A0071356biological_processcellular response to tumor necrosis factor
A0072584biological_processcaveolin-mediated endocytosis
A0090170biological_processregulation of Golgi inheritance
A0098792biological_processxenophagy
A0098978cellular_componentglutamatergic synapse
A0106310molecular_functionprotein serine kinase activity
A0120041biological_processpositive regulation of macrophage proliferation
A0140297molecular_functionDNA-binding transcription factor binding
A1904262biological_processnegative regulation of TORC1 signaling
A1904355biological_processpositive regulation of telomere capping
A1904417biological_processpositive regulation of xenophagy
A2000641biological_processregulation of early endosome to late endosome transport
B0000165biological_processMAPK cascade
B0001784molecular_functionphosphotyrosine residue binding
B0004672molecular_functionprotein kinase activity
B0004674molecular_functionprotein serine/threonine kinase activity
B0004707molecular_functionMAP kinase activity
B0005515molecular_functionprotein binding
B0005524molecular_functionATP binding
B0005634cellular_componentnucleus
B0005635cellular_componentnuclear envelope
B0005654cellular_componentnucleoplasm
B0005737cellular_componentcytoplasm
B0005739cellular_componentmitochondrion
B0005769cellular_componentearly endosome
B0005770cellular_componentlate endosome
B0005788cellular_componentendoplasmic reticulum lumen
B0005794cellular_componentGolgi apparatus
B0005829cellular_componentcytosol
B0005856cellular_componentcytoskeleton
B0005886cellular_componentplasma membrane
B0005901cellular_componentcaveola
B0005925cellular_componentfocal adhesion
B0006351biological_processDNA-templated transcription
B0006468biological_processprotein phosphorylation
B0006915biological_processapoptotic process
B0006974biological_processDNA damage response
B0008286biological_processinsulin receptor signaling pathway
B0009887biological_processanimal organ morphogenesis
B0010759biological_processpositive regulation of macrophage chemotaxis
B0014032biological_processneural crest cell development
B0014044biological_processSchwann cell development
B0016020cellular_componentmembrane
B0016310biological_processphosphorylation
B0019233biological_processsensory perception of pain
B0019902molecular_functionphosphatase binding
B0030278biological_processregulation of ossification
B0030509biological_processBMP signaling pathway
B0030641biological_processregulation of cellular pH
B0030878biological_processthyroid gland development
B0031143cellular_componentpseudopodium
B0031281biological_processpositive regulation of cyclase activity
B0031663biological_processlipopolysaccharide-mediated signaling pathway
B0032212biological_processpositive regulation of telomere maintenance via telomerase
B0032496biological_processresponse to lipopolysaccharide
B0032872biological_processregulation of stress-activated MAPK cascade
B0034198biological_processcellular response to amino acid starvation
B0034614biological_processcellular response to reactive oxygen species
B0035556biological_processintracellular signal transduction
B0038083biological_processpeptidyl-tyrosine autophosphorylation
B0038133biological_processERBB2-ERBB3 signaling pathway
B0042473biological_processouter ear morphogenesis
B0042552biological_processmyelination
B0042770biological_processsignal transduction in response to DNA damage
B0042802molecular_functionidentical protein binding
B0043330biological_processresponse to exogenous dsRNA
B0045944biological_processpositive regulation of transcription by RNA polymerase II
B0048009biological_processinsulin-like growth factor receptor signaling pathway
B0048538biological_processthymus development
B0050804biological_processmodulation of chemical synaptic transmission
B0051216biological_processcartilage development
B0051403biological_processstress-activated MAPK cascade
B0051493biological_processregulation of cytoskeleton organization
B0051973biological_processpositive regulation of telomerase activity
B0060020biological_processBergmann glial cell differentiation
B0060324biological_processface development
B0060425biological_processlung morphogenesis
B0060440biological_processtrachea formation
B0061308biological_processcardiac neural crest cell development involved in heart development
B0070161cellular_componentanchoring junction
B0070371biological_processERK1 and ERK2 cascade
B0070374biological_processpositive regulation of ERK1 and ERK2 cascade
B0070498biological_processinterleukin-1-mediated signaling pathway
B0070849biological_processresponse to epidermal growth factor
B0071260biological_processcellular response to mechanical stimulus
B0071276biological_processcellular response to cadmium ion
B0071356biological_processcellular response to tumor necrosis factor
B0072584biological_processcaveolin-mediated endocytosis
B0090170biological_processregulation of Golgi inheritance
B0098792biological_processxenophagy
B0098978cellular_componentglutamatergic synapse
B0106310molecular_functionprotein serine kinase activity
B0120041biological_processpositive regulation of macrophage proliferation
B0140297molecular_functionDNA-binding transcription factor binding
B1904262biological_processnegative regulation of TORC1 signaling
B1904355biological_processpositive regulation of telomere capping
B1904417biological_processpositive regulation of xenophagy
B2000641biological_processregulation of early endosome to late endosome transport
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 401
ChainResidue
AASP37
ALEU107
AHOH635

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 402
ChainResidue
AGLU98
AASN99
AGLN149
AARG152
AASP179
AHOH576

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 403
ChainResidue
ALEU201
AGLU203
ATYR250
AHOH1051

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 404
ChainResidue
AARG84
AARG87
AGLY186
ALEU187
AALA188
AARG189
AHOH704
AHOH926

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 405
ChainResidue
ATYR130
ASER170
AEDO413
AHOH733

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 406
ChainResidue
AILE190
AALA191
ATHR347
APHE348
AALA349
ADMS415
AHOH976

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 407
ChainResidue
AASP141
ATYR145
ATYR333
AHOH974
BLYS289
BVAL290
BALA291

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 408
ChainResidue
ASER263
APRO285
AHOH595
AHOH1008

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 409
ChainResidue
ASER263
ALEU281
AGLN282
ALEU284
ASER286
AHOH578

site_idBC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 410
ChainResidue
AGLU323

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 411
ChainResidue
APRO40
AARG41
AHIS62
AVAL63
AHOH908

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 412
ChainResidue
ALYS65
ALEU201
ATYR280
AHOH911

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 413
ChainResidue
AASP128
ATYR130
AEDO405
AHOH685
AHOH1026

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 414
ChainResidue
ALEU239
ASER299
AHOH541
AHOH731

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DMS A 415
ChainResidue
AARG189
AILE190
AASP192
APHE348
AMET350
AEDO406
AHOH574

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 416
ChainResidue
AHIS197
AASN218
AILE273
AASN274
BARG94

site_idBC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 417
ChainResidue
AARG208
AARG211
ATYR250
AHOH936
AHOH942
AHOH1018
AHOH1019
AHOH1051

site_idBC9
Number of Residues21
DetailsBINDING SITE FOR RESIDUE 38Z A 418
ChainResidue
AMET125
AGLU126
ATHR127
ALYS131
ALEU173
AASP184
AGLY186
AHOH517
AHOH856
AHOH1017
AALA52
ATYR53
AALA69
ALYS71
AILE73
ATYR81
AARG84
ATHR85
AGLU88
AGLN122
AASP123

site_idCC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 401
ChainResidue
BARG189
BILE190
BASP192
BTYR222
BPHE348
BHOH847

site_idCC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO B 402
ChainResidue
BARG84
BARG87
BGLY186
BLEU187
BALA188
BARG189
BHOH848
BHOH981

site_idCC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 403
ChainResidue
BTYR130
BSER170
BHOH751

site_idCC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 404
ChainResidue
BASP37
BALA109
BHOH738
BHOH802
BHOH807

site_idCC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 405
ChainResidue
BSER263
BPRO285
BHOH634

site_idCC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO B 406
ChainResidue
BLEU201
BGLU203

site_idCC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 407
ChainResidue
BLEU133
BLYS134
BGLU237
BASN241
BARG242
BPRO243
BHOH931

site_idCC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS B 408
ChainResidue
BLEU239
BLYS298
BSER299
BHOH610
BHOH665
BHOH996

site_idCC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 409
ChainResidue
AARG94
BHIS197
BASN218
BILE273
BASN274

site_idDC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 410
ChainResidue
BHIS78
BGLN79

site_idDC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 411
ChainResidue
BARG208
BARG211
BTYR250
BHOH521
BHOH592
BHOH760
BHOH960

site_idDC3
Number of Residues22
DetailsBINDING SITE FOR RESIDUE 38Z B 412
ChainResidue
BALA52
BTYR53
BALA69
BLYS71
BILE73
BTYR81
BARG84
BTHR85
BGLU88
BGLN122
BASP123
BMET125
BGLU126
BTHR127
BLYS131
BLEU173
BASP184
BGLY186
BHOH541
BHOH578
BHOH971
BHOH972

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues25
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGEGAYGMVSsAydhvrktrv.........AIKK
ChainResidueDetails
AILE48-LYS72

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. VlHrDLKpsNLLI
ChainResidueDetails
AVAL162-ILE174

site_idPS01351
Number of Residues103
DetailsMAPK MAP kinase signature. FehqtycqrtlREiqillrfrhenvigirdilrastleamrdvyivqdlmetdlykllksqqlsndhicyflyqilrglkyihsanvlh..........RDlKpsnllinttC
ChainResidueDetails
APHE76-CYS178

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
AASP166
BASP166

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AILE48
ALYS71
BILE48
BLYS71

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: N-acetylalanine => ECO:0000269|Ref.8, ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895, ECO:0007744|PubMed:22814378
ChainResidueDetails
AALA2
BALA2

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphothreonine => ECO:0007744|PubMed:19369195
ChainResidueDetails
ATHR198
BTHR198

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: Phosphothreonine; by MAP2K1 and MAP2K2 => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163
ChainResidueDetails
ATHR202
BTHR202

site_idSWS_FT_FI6
Number of Residues2
DetailsMOD_RES: Phosphotyrosine; by MAP2K1 and MAP2K2 => ECO:0000269|PubMed:18983981, ECO:0000269|PubMed:19494114, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163
ChainResidueDetails
ATYR204
BTYR204

site_idSWS_FT_FI7
Number of Residues2
DetailsMOD_RES: Phosphothreonine; by autocatalysis => ECO:0000269|PubMed:19060905
ChainResidueDetails
ATHR207
BTHR207

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PDB entries from 2024-07-24

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