3SOC

Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with a quinazolin

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE GVD B 1

Chain	Residue
B	LYS198
B	HIS270
B	GLU271
B	GLY273
B	ASP277
B	LYS326
B	ASN327
B	LEU329
B	ASP340
B	HOH516
B	HOH522
B	ALA199
B	HOH635
B	VAL206
B	ALA217
B	LYS219
B	LEU247
B	THR267
B	ALA268
B	PHE269

---

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE GVD A 1

Chain	Residue
A	VAL206
A	ALA217
A	LYS219
A	LEU247
A	THR267
A	ALA268
A	PHE269
A	HIS270
A	GLU271
A	LYS326
A	ASN327
A	LEU329
A	ASP340
A	HOH643

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 489

Chain	Residue
B	ASN231
B	GLU234
B	VAL235
B	ALA344
B	LEU345
B	LYS346

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 2

Chain	Residue
B	HOH157
B	ARG438
B	ASP463
B	HIS464

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 3

Chain	Residue
A	HOH95
A	HOH141
A	ASN231
A	GLU234
A	LEU345
A	LYS346
A	HOH623

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 4

Chain	Residue
A	ASN-6
A	PRO191
A	GLN193
A	GLN210
A	LEU212

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 5

Chain	Residue
A	TYR-4
A	SER-1
A	PHE-3
A	GLN-2
A	GLU253
B	HOH162

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 6

Chain	Residue
A	GLN210
A	ASN213
A	HOH553

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 7

Chain	Residue
A	HOH134
A	HOH172
A	GLN230
A	GLU234
A	SER237
A	GLU430

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 8

Chain	Residue
A	HOH609
B	TYR411
B	GLU416
B	GLN421

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 9

Chain	Residue
B	HOH13
B	GLY256
B	GLY256

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 10

Chain	Residue
B	GLN-2
B	GLN-2
B	HOH106
B	GLU253
B	HOH491
B	HOH602

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 11

Chain	Residue
A	VAL360
A	MET366
A	VAL370
A	LEU371

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ILE318-LEU330

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	293
Details	Domain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
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_FI3
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---