6N3N

Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents

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	15
Details	binding site for residue KA4 A 2500

Chain	Residue
A	LEU596
A	TYR804
A	CYS805
A	PHE855
A	GLY865
A	ASP866
A	PHE867
A	ALA617
A	VAL618
A	LYS619
A	LEU640
A	VAL649
A	TYR651
A	MET802
A	GLU803

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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. LGKGAFGAVIkVqnkldgcc..........YAVK

Chain	Residue	Details
A	LEU596-LYS619

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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	ASN848

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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	LEU596
A	LYS619

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site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: Phosphothreonine => ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19369195, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	VAL790

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site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphothreonine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	THR871

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site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: Phosphothreonine; by autocatalysis => ECO:0000250|UniProtKB:Q9QZ05

Chain	Residue	Details
A	GLU899

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

Chain	Residue	Details
A	GLU904

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