5OP5

Structure of CHK1 10-pt. mutant complex with pyrrolopyrimidine LRRK2 inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000077	biological_process	DNA damage checkpoint signaling
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	10
Details	binding site for residue 3FE A 301

Chain	Residue
A	GLY16
A	HOH421
A	ALA36
A	LYS38
A	MET84
A	GLU85
A	LEU86
A	ALA87
A	LEU137
A	ASP148

---

site_id	AC2
Number of Residues	1
Details	binding site for residue CL A 302

Chain	Residue
A	HOH601

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	LEU15-LYS38

---

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

Chain	Residue	Details
A	ILE126-LEU138

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	ASP130

---

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

Chain	Residue	Details
A	LEU15
A	LYS38

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER280

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231

Chain	Residue	Details
A	SER286

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:32357935

Chain	Residue	Details
A	LYS132

---