Activin A receptor type IIA
Kinase structure
Kinase:ACVR2A (ACTR2)
Family:STKR
Group:TKL
Species:HUMAN
IUPHAR/BPS ID:1791
PDB:3Q4T
sc-PDB:
KIDFamMap:Search
Release date:2011-02-09
PubMed: 25368322
Chain:B
(Alternate) Model:B
Orthosteric ligand:TAK
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 3Q4T
3Q4TAlternative model: AChain: A
3Q4TAlternative model: AChain: B
3Q4TAlternative model: BChain: A


Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):49.9° (14.7Å)
G-rich loop rotation:65.5°
Quality Score:8
Resolution:1.96 Å
Missing Residues:0
Missing Atoms:0
Ligand binding mode
PocketsSubpocketsWaters
front
Cluster
I2
I3
I5
Ligand
No
No
No
Protein
Yes
Yes
Yes

Pocket alignment
Uniprot sequence:EVKARGRFGCVWKVAVKIFSWQNEYEVYSLPGENILQFIGAWLITAFHEKGSLSDFLKADGHKPAISHRDIKSKNVLLIADFGLA
Sequence structure:EVKARGRFGCVWKVAVKIFSWQNEYEVYSLPGENILQFIGAWLITAFHEKGSLSDFLKADGHKPAISHRDIKSKNVLLIADFGLA

Ligand affinity
ChEMBL ID:CHEMBL478629
Bioaffinities: 32 records for 18 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensActivin receptor type-16.86.87.2pIC503
Homo sapiensActivin receptor type-1B4.64.64.6pIC501
Homo sapiensAMP-activated protein kinase, beta-1 subunit6.56.56.6pIC503
Homo sapiensBone morphogenetic protein receptor type-1A777pIC501
Homo sapiensBone morphogenetic protein receptor type-1B6.36.36.6pIC502
Homo sapiensBone morphogenetic protein receptor type-27.17.17.1pIC501
Homo sapiensEphrin type-A receptor 2888pIC501
Homo sapiensInterferon-induced, double-stranded RNA-activated protein kinase4.84.84.8pIC501
Homo sapiensMAP kinase-interacting serine/threonine-protein kinase MNK1888pIC501
Homo sapiensRibosomal protein S6 kinase alpha 16.76.76.7pIC502
Homo sapiensSerine/threonine-protein kinase receptor R3777pIC501
Homo sapiensTGF-beta receptor type I54.85pIC504
Homo sapiensTGF-beta receptor type II777pIC501
Homo sapiensTyrosine-protein kinase LCK7.87.87.8pIC501
Homo sapiensTyrosine-protein kinase SRC8.78.78.7pIC501
Homo sapiensTyrosine-protein kinase YES6.76.77.5pIC502
Homo sapiensVascular endothelial growth factor receptor 1888pIC501
Homo sapiensVascular endothelial growth factor receptor 27.66.78.4pIC505


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
196
2 V
197
3 K
198
4 A
199
5 R
200
6 G
201
7 R
202
8 F
203
9 G
204
10 C
205
11 V
206
12 W
207
13 K
208
14 V
216
15 A
217
16 V
218
17 K
219
18 I
220
19 F
221
20 S
228
αC b.l IV
21 W
229
22 Q
230
23 N
231
24 E
232
25 Y
233
26 E
234
27 V
235
28 Y
236
29 S
237
30 L
238
31 P
239
32 G
240
33 E
244
34 N
245
35 I
246
36 L
247
37 Q
248
38 F
249
39 I
250
40 G
251
IV V GK hinge linker αD αE
41 A
252
42 W
264
43 L
265
44 I
266
45 T
267
46 A
268
47 F
269
48 H
270
49 E
271
50 K
272
51 G
273
52 S
274
53 L
275
54 S
276
55 D
277
56 F
278
57 L
279
58 K
280
59 A
281
60 D
312
αE VI c.l VII VIII x
61 G
313
62 H
314
63 K
315
64 P
316
65 A
317
66 I
318
67 S
319
68 H
320
69 R
321
70 D
322
71 I
323
72 K
324
73 S
325
74 K
326
75 N
327
76 V
328
77 L
329
78 L
330
79 I
338
80 A
339
DFG a.l
81 D
340
82 F
341
83 G
342
84 L
343
85 A
344

Interaction pattern search
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