4QMW

MST3 IN COMPLEX WITH PP-121, 1-CYCLOPENTYL-3-(1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE

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	14
Details	BINDING SITE FOR RESIDUE KS1 A 401

Chain	Residue
A	ILE30
A	LEU151
A	ALA161
A	ASP162
A	HOH566
A	HOH650
A	GLY31
A	ALA51
A	LYS53
A	GLU70
A	THR83
A	MET99
A	GLU100
A	LEU102

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 402

Chain	Residue
A	GLY215
A	HOH524
A	HOH630

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT A 403

Chain	Residue
A	PHE179
A	GLY181
A	MET186

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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. IGKGSFGEVFkGidnrtqkv..........VAIK

Chain	Residue	Details
A	ILE30-LYS53

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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

Chain	Residue	Details
A	GLY156

---

site_id	SWS_FT_FI2
Number of Residues	5
Details	BINDING:

Chain	Residue	Details
A	ILE42
A	GLU65
A	GLU112
A	ALA161
A	ILE174

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: Phosphothreonine; by PKA => ECO:0000269|PubMed:10644707

Chain	Residue	Details
A	ALA18

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site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphothreonine; by autocatalysis => ECO:0000269|PubMed:17046825, ECO:0000269|PubMed:19604147, ECO:0000269|PubMed:20124694, ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	VAL190

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