3OOM

Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507

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	8
Details	BINDING SITE FOR RESIDUE PO4 A 1

Chain	Residue
A	ARG380
A	ASN437
A	ASP438
A	PRO439
A	EDO501
A	HOH522
A	HOH563
A	HOH599

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 A 2

Chain	Residue
A	LYS345
A	LYS346
A	HOH523
A	HOH524
A	HOH525
A	HOH550
A	HIS286

---

site_id	AC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 507 A 500

Chain	Residue
A	HOH35
A	HOH45
A	HOH113
A	TYR219
A	VAL222
A	ALA233
A	LYS235
A	LEU281
A	THR283
A	HIS284
A	TYR285
A	HIS286
A	LYS340
A	ASN341
A	LEU343
A	ASP354
A	HOH557

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 501

Chain	Residue
A	PO41
A	HOH131
A	HOH185
A	LYS338
A	THR378
A	HOH600

---

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 502

Chain	Residue
A	EDO15
A	HIS259
A	HIS318

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 3

Chain	Residue
A	HIS259
A	GLU260
A	ILE262
A	LEU263
A	GLY264
A	HIS284
A	HIS286
A	CYS351

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 4

Chain	Residue
A	ARG380
A	TYR432
A	VAL435
A	PRO436
A	ASN437

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 5

Chain	Residue
A	HOH47
A	HOH83
A	ASN366
A	ARG401
A	PRO482
A	SER483
A	ARG485

---

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

Chain	Residue
A	GLU242
A	GLU242
A	LYS243
A	LYS243
A	HOH539
A	HOH558

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 7

Chain	Residue
A	SER239
A	GLU242
A	PHE246
A	THR277

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 8

Chain	Residue
A	HIS274
A	LYS493
A	LYS497
A	HOH566

---

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 9

Chain	Residue
A	LYS243
A	LYS243
A	ASN372
A	ASN372
A	HOH539

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 10

Chain	Residue
A	PRO330
A	MET360
A	SER362
A	GLN367

---

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 11

Chain	Residue
A	CYS395
A	CYS395
A	HOH569
A	HOH569

---

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 12

Chain	Residue
A	TYR292
A	GLN296
A	TYR427
A	PRO429

---

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 13

Chain	Residue
A	HOH69
A	LYS400
A	THR487
A	ALA488
A	LEU489
A	HOH503

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 14

Chain	Residue
A	SER268
A	SER268
A	THR249

---

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 15

Chain	Residue
A	ASN261
A	SER314
A	EDO502
A	HOH551

---

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

Chain	Residue	Details
A	ASP336

---

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

Chain	Residue	Details
A	VAL214
A	LYS235

---