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2R9S

c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004707molecular_functionMAP kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0004707molecular_functionMAP kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 255 B 501
ChainResidue
AASN66
BLEU148
BMET149
BASP150
BALA151
BASN152
BGLN155
BVAL196
BLEU206
BTFA602
ALYS68
A255502
BLYS68
BILE70
BGLY71
BASN89
BALA91
BGLU147

site_idAC2
Number of Residues20
DetailsBINDING SITE FOR RESIDUE 255 A 502
ChainResidue
ALYS68
AILE70
AGLY71
AVAL78
AALA80
AASN89
AALA91
AMET146
AGLU147
ALEU148
AMET149
AASP150
AASN152
AGLN155
AVAL196
ALEU206
ATFA601
BASN66
BLYS68
B255501

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE UNX A 801
ChainResidue
AUNX802
AUNX826

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE UNX A 802
ChainResidue
AHIS179
ASER182
AUNX801
AUNX807

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE UNX A 803
ChainResidue
AUNX805
AUNX806

site_idAC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE UNX A 804
ChainResidue
AUNX805

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE UNX A 805
ChainResidue
AUNX803
AUNX804

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE UNX A 806
ChainResidue
AUNX803
AUNX807

site_idAC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE UNX A 807
ChainResidue
AUNX802
AUNX806

site_idBC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE UNX A 808
ChainResidue
AASP364

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX A 809
ChainResidue
ALYS106
AALA211
AUNX810

site_idBC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE UNX A 810
ChainResidue
AUNX809

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX B 811
ChainResidue
BUNX812
BUNX817
BUNX825

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE UNX B 812
ChainResidue
BHIS179
BUNX811
BUNX817
BUNX825

site_idBC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX B 813
ChainResidue
AUNX814
BUNX815
BUNX816

site_idBC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX A 814
ChainResidue
BUNX813
BUNX815
BUNX816

site_idBC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX B 815
ChainResidue
AUNX814
BUNX813
BUNX816

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE UNX B 816
ChainResidue
AUNX814
BUNX813
BUNX815
BUNX817

site_idCC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE UNX B 817
ChainResidue
BUNX811
BUNX812
BUNX816
BUNX825

site_idCC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX B 819
ChainResidue
BARG188
BLEU210
BALA211

site_idCC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE UNX A 821
ChainResidue
AUNX822

site_idCC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE UNX A 822
ChainResidue
AILE235
ATYR268
AUNX821
AUNX823

site_idCC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX A 823
ChainResidue
ATYR268
AUNX822
AUNX824

site_idCC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE UNX A 824
ChainResidue
AUNX823

site_idCC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX B 825
ChainResidue
BUNX811
BUNX812
BUNX817

site_idCC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE UNX A 826
ChainResidue
AUNX801

site_idCC9
Number of Residues1
DetailsBINDING SITE FOR RESIDUE UNX B 828
ChainResidue
BASP364

site_idDC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE TFA A 601
ChainResidue
AILE70
AGLY71
ASER72
AASN152
ASER193
ALEU206
A255502

site_idDC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE TFA B 602
ChainResidue
BILE70
BGLY71
BSER72
BASN152
BSER193
BLEU206
B255501

site_idDC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 701
ChainResidue
AGLY239
ATYR240

site_idDC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 702
ChainResidue
AGLN102
AVAL361
AILE387
AHOH896

site_idDC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 703
ChainResidue
BGLN102
BVAL361
BILE387
BHOH863

site_idDC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO B 704
ChainResidue
BALA345
BARG347

site_idDC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 705
ChainResidue
ASER330
AARG333
AASP334
BASP334

site_idDC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 707
ChainResidue
AARG258
AGLN278
ALYS311

Functional Information from PROSITE/UniProt
site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDLKpsNIVV
ChainResidueDetails
AILE185-VAL197

site_idPS01351
Number of Residues103
DetailsMAPK MAP kinase signature. FqnqthakrayRElvlmkcvnhkniisllnvftpqktleefqdvylvmelmdanlcqviqmeldhermsyllyqmlcgikhlhsagiih..........RDlKpsnivvksdC
ChainResidueDetails
APHE99-OCY201

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AASP189
BASP189

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING:
ChainResidueDetails
AILE70
ALYS93
BILE70
BLYS93

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphothreonine; by MAP2K7 => ECO:0000269|PubMed:10715136
ChainResidueDetails
ATHR221
BTHR221

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphotyrosine; by MAP2K4 => ECO:0000269|PubMed:10715136
ChainResidueDetails
ATYR223
BTYR223

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP189
ASER193

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ir3
ChainResidueDetails
BASP189
BSER193

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP189
ALYS191

site_idCSA4
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ir3
ChainResidueDetails
BASP189
BLYS191

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP189
ALYS191
AASN194

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1ir3
ChainResidueDetails
BASP189
BLYS191
BASN194

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PDB entries from 2024-07-10

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