5MAG

Crystal structure of MELK in complex with an 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	18
Details	binding site for residue 7KC A 401

Chain	Residue
A	ILE17
A	GLU87
A	CYS89
A	PRO90
A	GLY92
A	ASN137
A	LEU139
A	ILE149
A	ASP150
A	HOH514
A	GLY18
A	THR19
A	GLY20
A	ALA23
A	VAL25
A	ALA38
A	LYS40
A	CYS70

---

site_id	AC2
Number of Residues	6
Details	binding site for residue DMS A 402

Chain	Residue
A	MET36
A	TYR73
A	GLU87
A	TYR88
A	GLU142
A	ARG326

---

site_id	AC3
Number of Residues	6
Details	binding site for residue GOL A 403

Chain	Residue
A	LEU32
A	LEU290
A	HIS293
A	HIS294
A	HIS312
A	LEU313

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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. IGTGGFAKVKlAchiltgem..........VAIK

Chain	Residue	Details
A	ILE17-LYS40

---

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

---

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

---

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

Chain	Residue	Details
A	ILE17
A	LYS40

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: Phosphothreonine; by autocatalysis => ECO:0000269|PubMed:16216881

Chain	Residue	Details
A	THR56

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:16216881

Chain	Residue	Details
A	TYR163

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site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: Phosphothreonine; by autocatalysis => ECO:0000269|PubMed:14976552, ECO:0000269|PubMed:16216881, ECO:0000269|PubMed:16628004

Chain	Residue	Details
A	THR167

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	MOD_RES: Phosphoserine; by autocatalysis => ECO:0000269|PubMed:16216881

Chain	Residue	Details
A	SER171
A	SER253
A	SER336

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