4CQG

The crystal structure of MPK38 in complex with OTSSP167, an orally- administrative MELK selective inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0004674	molecular_function	protein serine/threonine 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	15
Details	BINDING SITE FOR RESIDUE OT5 A 1332

Chain	Residue
A	ILE17
A	TYR88
A	CYS89
A	GLU93
A	LEU139
A	ILE149
A	ASP150
A	GLY18
A	THR19
A	VAL25
A	ALA38
A	LYS40
A	GLU57
A	LEU86
A	GLU87

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site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 1333

Chain	Residue
A	TYR14
A	GLU15
A	THR16
A	LYS26
A	TYR122
A	GLN126

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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. IGTGGFAKVKlAchvltgem..........VAIK

Chain	Residue	Details
A	ILE17-LYS40

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

Chain	Residue	Details
A	TYR128-PHE140

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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	ASP132

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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	LYS40
A	ILE17

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site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: Phosphothreonine; by autocatalysis => ECO:0000250|UniProtKB:Q14680

Chain	Residue	Details
A	GLU167
A	THR56

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site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000250|UniProtKB:Q14680

Chain	Residue	Details
A	TYR163

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site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: Phosphoserine; by autocatalysis => ECO:0000250|UniProtKB:Q14680

Chain	Residue	Details
A	SER253
A	SER171

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