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3V6S

Discovery of potent and selective covalent inhibitors of JNK

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 Residues16
DetailsBINDING SITE FOR RESIDUE 0F0 A 501
ChainResidue
AGLY71
ACYS154
AGLN155
AVAL196
ALEU206
ATYR229
AILE261
AHOH613
ASER72
AGLN75
AVAL78
AALA91
AGLU147
AMET149
AASP150
AASN152

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 0F0 B 501
ChainResidue
BILE70
BVAL78
BALA91
BGLU147
BMET149
BASP150
BASN152
BCYS154
BGLN155
BVAL196
BLEU206
BTYR229
BILE261
BHOH644

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-CYS201

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

218853

PDB entries from 2024-04-24

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