6GI6

Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 5-methyl 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	9
Details	binding site for residue EZB A 501

Chain	Residue
A	VAL214
A	VAL222
A	LYS235
A	THR283
A	TYR285
A	HIS286
A	LEU343
A	ALA353
A	HOH629

---

site_id	AC2
Number of Residues	7
Details	binding site for residue SO4 A 502

Chain	Residue
A	ARG380
A	ASN437
A	ASP438
A	PRO439
A	EDO510
A	HOH653
A	HOH691

---

site_id	AC3
Number of Residues	5
Details	binding site for residue SO4 A 503

Chain	Residue
A	ARG258
A	PRO458
A	ASN459
A	HOH677
A	HOH681

---

site_id	AC4
Number of Residues	6
Details	binding site for residue SO4 A 504

Chain	Residue
A	ARG206
A	MET270
A	THR271
A	SER272
A	HOH605
A	HOH630

---

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

Chain	Residue
A	HIS286
A	LYS345
A	LYS346
A	HOH637

---

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

Chain	Residue
A	ARG224

---

site_id	AC7
Number of Residues	4
Details	binding site for residue EDO A 507

Chain	Residue
A	GLU221
A	TRP223
A	ILE236
A	GLN278

---

site_id	AC8
Number of Residues	3
Details	binding site for residue EDO A 508

Chain	Residue
A	THR487
A	ARG490
A	HOH604

---

site_id	AC9
Number of Residues	4
Details	binding site for residue EDO A 509

Chain	Residue
A	ASP433
A	ARG454
A	ASN456
A	HOH656

---

site_id	AD1
Number of Residues	4
Details	binding site for residue EDO A 510

Chain	Residue
A	THR378
A	LYS379
A	SO4502
A	HOH611

---

site_id	AD2
Number of Residues	2
Details	binding site for residue EDO A 511

Chain	Residue
A	LYS379
A	PHE441

---

site_id	AD3
Number of Residues	2
Details	binding site for residue EDO A 512

Chain	Residue
A	ARG335
A	HOH619

---

site_id	AD4
Number of Residues	6
Details	binding site for residue EDO A 513

Chain	Residue
A	HIS320
A	LYS400
A	THR487
A	ALA488
A	LEU489
A	HOH642

---

site_id	AD5
Number of Residues	3
Details	binding site for residue EDO A 514

Chain	Residue
A	ASP301
A	THR302
A	HOH609

---

site_id	AD6
Number of Residues	5
Details	binding site for residue EDO A 515

Chain	Residue
A	ARG401
A	PRO482
A	SER483
A	ARG485
A	HOH643

---

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

---