6GIP

Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 2, 5-dimethyl core.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0004675	molecular_function	transmembrane receptor protein serine/threonine kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
A	0007178	biological_process	cell surface receptor protein serine/threonine kinase signaling pathway
A	0016020	cellular_component	membrane

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	binding site for residue EUN A 501

Chain	Residue
A	VAL214
A	LEU343
A	ALA353
A	EDO507
A	HOH620
A	HOH623
A	ALA233
A	LYS235
A	LEU263
A	LEU281
A	THR283
A	TYR285
A	HIS286
A	GLY289

---

site_id	AC2
Number of Residues	5
Details	binding site for residue SO4 A 502

Chain	Residue
A	ARG380
A	ASP438
A	PRO439
A	HOH632
A	HOH633

---

site_id	AC3
Number of Residues	2
Details	binding site for residue SO4 A 503

Chain	Residue
A	SER238
A	SER239

---

site_id	AC4
Number of Residues	4
Details	binding site for residue SO4 A 504

Chain	Residue
A	HIS284
A	HIS286
A	LYS345
A	LYS346

---

site_id	AC5
Number of Residues	4
Details	binding site for residue SO4 A 505

Chain	Residue
A	LYS379
A	SER440
A	PHE441
A	HOH612

---

site_id	AC6
Number of Residues	1
Details	binding site for residue EDO A 506

Chain	Residue
A	THR302

---

site_id	AC7
Number of Residues	3
Details	binding site for residue EDO A 507

Chain	Residue
A	TYR219
A	LYS235
A	EUN501

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	22
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. VGKGRYGEVWrGswqgen............VAVK

Chain	Residue	Details
A	VAL214-LYS235

---

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

Chain	Residue	Details
A	ILE332-VAL344

---

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

---

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

Chain

Residue

Details

---