3SHE

Novel ATP-competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE I85 A 350

Chain	Residue
A	HOH1
A	GLU119
A	MET121
A	GLU122
A	GLY123
A	GLY124
A	GLU170
A	ASN171
A	LYS177
A	ASP187
A	GLU275
A	HOH4
A	LEU50
A	GLY51
A	LEU52
A	GLY53
A	VAL58
A	ALA71
A	LYS73

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Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	24
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGLGVNGKVLeCfhrrtgqk..........CALK

Chain	Residue	Details
A	LEU50-LYS73

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site_id	PS00108
Number of Residues	13
Details	PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IaHrDVKpeNLLY

Chain	Residue	Details
A	ILE162-TYR174

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027

Chain	Residue	Details
A	ASP166

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site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159

Chain	Residue	Details
A	LEU50
A	LYS73

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site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: Phosphothreonine; by MAPK14 => ECO:0000250|UniProtKB:Q3UMW7

Chain	Residue	Details
A	THR201

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site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphoserine; by MAPK14 => ECO:0000250

Chain	Residue	Details
A	SER251

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site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: Phosphoserine; by autocatalysis => ECO:0000250

Chain	Residue	Details
A	SER307

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site_id	SWS_FT_FI6
Number of Residues	1
Details	MOD_RES: Phosphothreonine; by MAPK14 => ECO:0000250

Chain	Residue	Details
A	THR313

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