4X7L

Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor

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	13
Details	binding site for residue 3Z4 A 1101

Chain	Residue
A	ALA620
A	GLY954
A	ASP955
A	PHE956
A	GOL1103
A	LYS622
A	GLU639
A	LEU643
A	VAL652
A	ILE886
A	MET888
A	GLN889
A	CYS891

---

site_id	AC2
Number of Residues	11
Details	binding site for residue TLA A 1102

Chain	Residue
A	ARG629
A	LEU631
A	ALA632
A	TRP899
A	ARG903
A	HOH1209
A	HOH1219
A	HOH1220
A	HOH1234
A	HOH1246
A	HOH1259

---

site_id	AC3
Number of Residues	8
Details	binding site for residue GOL A 1103

Chain	Residue
A	GLU639
A	ALA642
A	LEU933
A	MET934
A	HIS935
A	3Z41101
A	HOH1343
A	HOH1357

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	24
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGRGGFGVVFeAknkvddcn..........YAIK

Chain	Residue	Details
A	LEU599-LYS622

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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	ASN937

---

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

Chain	Residue	Details
A	LEU599
A	LYS622

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: Phosphotyrosine => ECO:0000269|PubMed:22169477

Chain	Residue	Details
A	TYR619

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:20068231

Chain	Residue	Details
A	GLN920

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:Q9Z2B5

Chain	Residue	Details
A	THR982

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:21406692

Chain	Residue	Details
A	SER1094

---