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4X21

The MAP kinase JNK3 as target for halogen bonding

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 Residues12
Detailsbinding site for residue 3WH A 501
ChainResidue
AVAL78
ALEU206
AHOH682
AHOH773
AALA91
AMET146
AGLU147
AMET149
AASP150
AALA151
AASN152
AGLN155

site_idAC2
Number of Residues5
Detailsbinding site for residue CL A 502
ChainResidue
AARG227
AASP267
ATYR268
BASP200
BHOH661

site_idAC3
Number of Residues5
Detailsbinding site for residue CL B 502
ChainResidue
BGLU242
BASN243
BSER349
BVAL350
BHOH624

site_idAC4
Number of Residues13
Detailsbinding site for Di-peptide 3WH B 501 and MET B 146
ChainResidue
BSER72
BVAL78
BVAL90
BALA91
BLYS93
BLEU144
BVAL145
BGLU147
BLEU148
BMET149
BALA151
BASN152
BGLN155

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
BILE70
BLYS93
AILE70
ALYS93

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

219869

PDB entries from 2024-05-15

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