6T6D

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149

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
B	0004672	molecular_function	protein kinase activity
B	0004675	molecular_function	transmembrane receptor protein serine/threonine kinase activity
B	0005524	molecular_function	ATP binding
B	0006468	biological_process	protein phosphorylation
B	0007178	biological_process	cell surface receptor protein serine/threonine kinase signaling pathway
B	0016020	cellular_component	membrane
C	0004672	molecular_function	protein kinase activity
C	0004675	molecular_function	transmembrane receptor protein serine/threonine kinase activity
C	0005524	molecular_function	ATP binding
C	0006468	biological_process	protein phosphorylation
C	0007178	biological_process	cell surface receptor protein serine/threonine kinase signaling pathway
C	0016020	cellular_component	membrane
D	0004672	molecular_function	protein kinase activity
D	0004675	molecular_function	transmembrane receptor protein serine/threonine kinase activity
D	0005524	molecular_function	ATP binding
D	0006468	biological_process	protein phosphorylation
D	0007178	biological_process	cell surface receptor protein serine/threonine kinase signaling pathway
D	0016020	cellular_component	membrane

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	binding site for residue MM8 A 501

Chain	Residue
A	VAL214
A	GLY289
A	SER290
A	ASP293
A	LEU343
A	ALA353
A	ASP354
A	ALA233
A	LYS235
A	GLU248
A	LEU263
A	LEU281
A	THR283
A	TYR285
A	HIS286

---

site_id	AC2
Number of Residues	3
Details	binding site for residue SO4 A 502

Chain	Residue
A	HIS286
A	LYS345
A	LYS346

---

site_id	AC3
Number of Residues	4
Details	binding site for residue SO4 A 503

Chain	Residue
A	ARG380
A	ASN437
A	ASP438
A	PRO439

---

site_id	AC4
Number of Residues	5
Details	binding site for residue SO4 A 504

Chain	Residue
A	ILE262
A	LEU263
A	GLY264
A	HIS284
A	HIS286

---

site_id	AC5
Number of Residues	12
Details	binding site for residue MM8 B 501

Chain	Residue
B	VAL214
B	ALA233
B	LYS235
B	GLU248
B	LEU263
B	LEU281
B	THR283
B	TYR285
B	HIS286
B	GLY289
B	LEU343
B	ALA353

---

site_id	AC6
Number of Residues	6
Details	binding site for residue SO4 B 502

Chain	Residue
B	ILE262
B	LEU263
B	GLY264
B	HIS284
B	HIS286
B	LYS345

---

site_id	AC7
Number of Residues	4
Details	binding site for residue SO4 B 503

Chain	Residue
B	ARG380
B	ASN437
B	ASP438
B	PRO439

---

site_id	AC8
Number of Residues	3
Details	binding site for residue SO4 B 504

Chain	Residue
B	HIS286
B	LYS345
B	LYS346

---

site_id	AC9
Number of Residues	13
Details	binding site for residue MM8 C 501

Chain	Residue
A	PHE462
C	VAL214
C	ALA233
C	LYS235
C	GLU248
C	LEU263
C	LEU281
C	THR283
C	TYR285
C	HIS286
C	GLY289
C	ASP293
C	LEU343

---

site_id	AD1
Number of Residues	4
Details	binding site for residue SO4 C 502

Chain	Residue
C	TYR285
C	HIS286
C	LYS345
C	LYS346

---

site_id	AD2
Number of Residues	4
Details	binding site for residue SO4 C 503

Chain	Residue
C	ARG380
C	ASN437
C	ASP438
C	PRO439

---

site_id	AD3
Number of Residues	6
Details	binding site for residue SO4 C 504

Chain	Residue
C	ILE262
C	LEU263
C	GLY264
C	HIS284
C	HIS286
C	LYS345

---

site_id	AD4
Number of Residues	16
Details	binding site for residue MM8 D 501

Chain	Residue
C	SER275
D	VAL214
D	ALA233
D	LYS235
D	GLU248
D	LEU263
D	LEU281
D	THR283
D	HIS284
D	TYR285
D	HIS286
D	GLY289
D	ASP293
D	LEU343
D	ALA353
D	ASP354

---

site_id	AD5
Number of Residues	4
Details	binding site for residue SO4 D 502

Chain	Residue
D	TYR285
D	HIS286
D	LYS345
D	LYS346

---

site_id	AD6
Number of Residues	7
Details	binding site for residue SO4 D 503

Chain	Residue
D	GLU260
D	ILE262
D	LEU263
D	GLY264
D	HIS284
D	HIS286
D	LYS345

---

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	4
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027

Chain	Residue	Details
A	ASP336
B	ASP336
C	ASP336
D	ASP336

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159

Chain	Residue	Details
A	VAL214
A	LYS235
B	VAL214
B	LYS235
C	VAL214
C	LYS235
D	VAL214
D	LYS235

---