3VQU

CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide

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	1
Details	BINDING SITE FOR RESIDUE IOD A 901

Chain	Residue
A	ASP657

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site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 902

Chain	Residue
A	ILE738
A	ASN739

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site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 903

Chain	Residue
A	PRO713
A	ILE782

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site_id	AC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 905

Chain	Residue
A	ASP775

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site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 906

Chain	Residue
A	ILE759

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site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 907

Chain	Residue
A	GLY605
A	HOH1102

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site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE O22 A 909

Chain	Residue
A	ALA551
A	MET602
A	GLU603
A	CYS604
A	ASN606
A	ILE607
A	ASP608
A	LEU654
A	ILE663

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Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	23
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGSGGSSKVFqVlnekkqi...........YAIK

Chain	Residue	Details
A	ILE531-LYS553

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

Chain	Residue	Details
A	ILE643-ILE655

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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