Activin A receptor type I
Kinase structure
Kinase:ACVR1 (ALK2)
Family:STKR
Group:TKL
Species:HUMAN
IUPHAR/BPS ID:1785
PDB:3Q4U
sc-PDB:
KIDFamMap:Search
Release date:2011-02-09
PubMed: 23646137
Chain:D
(Alternate) Model:A
Orthosteric ligand:LDN
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 3Q4U
3Q4UAlternative model: AChain: A
3Q4UAlternative model: AChain: B
3Q4UAlternative model: AChain: C
3Q4UAlternative model: BChain: A
3Q4UAlternative model: BChain: B
3Q4UAlternative model: BChain: C
3Q4UAlternative model: BChain: D


Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):52.8° (16.2Å)
G-rich loop rotation:45.8°
Quality Score:9.5
Resolution:1.82 Å
Missing Residues:0
Missing Atoms:5
Ligand binding mode
PocketsSubpocketsWaters
front
FP-I
Cluster
I2
I5
I10
Ligand
No
No
Yes
Protein
Yes
Yes
Yes

Pocket alignment
Uniprot sequence:ECVGKGRYGEVWRVAVKIFSWFRETELYNTVMENILGFIASWLITHYHEMGSLYDYLQLTQGKPAIAHRDLKSKNILVIADLGLA
Sequence structure:ECVGKGRYGEVWRVAVKIFSWFRETELYNTVMENILGFIASWLITHYHEMGSLYDYLQLTQGKPAIAHRDLKSKNILVIADLGLA

Ligand affinity
ChEMBL ID:CHEMBL513147
Bioaffinities: 10 records for 9 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensActivin receptor type-17.47.47.4pIC501
Homo sapiensActivin receptor type-1B5.75.75.7pIC501
Homo sapiensAMP-activated protein kinase, beta-1 subunit666pIC501
Homo sapiensBone morphogenetic protein receptor type-1B7.27.27.2pIC501
Homo sapiensBone morphogenetic protein receptor type-25.45.45.4pIC501
Homo sapiensSerine/threonine-protein kinase receptor R37.97.97.9pIC501
Homo sapiensTGF-beta receptor type I6.36.36.3pIC502
Homo sapiensTGF-beta receptor type II6.96.96.9pIC501
Homo sapiensVascular endothelial growth factor receptor 26.76.76.7pIC501


Kinase-ligand interaction pattern
Hydrophobic Aromatic face-to-face Aromatic face-to-edge H-bond donor H-bond acceptor Ionic positive Ionic negative
I g.l II III αC
1 E
212
2 C
213
3 V
214
4 G
215
5 K
216
6 G
217
7 R
218
8 Y
219
9 G
220
10 E
221
11 V
222
12 W
223
13 R
224
14 V
232
15 A
233
16 V
234
17 K
235
18 I
236
19 F
237
20 S
244
αC b.l IV
21 W
245
22 F
246
23 R
247
24 E
248
25 T
249
26 E
250
27 L
251
28 Y
252
29 N
253
30 T
254
31 V
255
32 M
256
33 E
260
34 N
261
35 I
262
36 L
263
37 G
264
38 F
265
39 I
266
40 A
267
IV V GK hinge linker αD αE
41 S
268
42 W
280
43 L
281
44 I
282
45 T
283
46 H
284
47 Y
285
48 H
286
49 E
287
50 M
288
51 G
289
52 S
290
53 L
291
54 Y
292
55 D
293
56 Y
294
57 L
295
58 Q
296
59 L
297
60 T
326
αE VI c.l VII VIII x
61 Q
327
62 G
328
63 K
329
64 P
330
65 A
331
66 I
332
67 A
333
68 H
334
69 R
335
70 D
336
71 L
337
72 K
338
73 S
339
74 K
340
75 N
341
76 I
342
77 L
343
78 V
344
79 I
352
80 A
353
DFG a.l
81 D
354
82 L
355
83 G
356
84 L
357
85 A
358

Interaction pattern search
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