Activin A receptor type IL
Kinase structure
Kinase:ACVRL1 (ALK1)
Family:STKR
Group:TKL
Species:HUMAN
IUPHAR/BPS ID:1784
PDB:3MY0
sc-PDB:
KIDFamMap:Search
Release date:2010-07-21
PubMed: 25557927
Chain:E
Orthosteric ligand:LDN
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 3MY0
3MY0Chain: A
3MY0Chain: B
3MY0Chain: C
3MY0Chain: D
3MY0Chain: F
3MY0Chain: G
3MY0Chain: H
3MY0Chain: I
3MY0Chain: J
3MY0Chain: K
3MY0Chain: L
3MY0Chain: M
3MY0Chain: N
3MY0Chain: O
3MY0Chain: P
3MY0Chain: Q
3MY0Chain: R
3MY0Chain: S
3MY0Chain: T
3MY0Chain: U
3MY0Chain: V
3MY0Chain: W
3MY0Chain: X


Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):53.9° (16.6Å)
G-rich loop rotation:43.6°
Quality Score:8
Resolution:2.65 Å
Missing Residues:0
Missing Atoms:28
Ligand binding mode
PocketsSubpockets
front
FP-I

Pocket alignment
Uniprot sequence:ECVGKGRYGEVWRVAVKIFSWFRETEIYNTVLDNILGFIASWLITHYHEHGSLYDFLQRTQGKPAIAHRDFKSRNVLVIADLGLA
Sequence structure:ECVGKGRYGEVWRVAVKIFSWFRETEIYNTVLDNILGFIASWLITHYHEHGSLYDFLQRTQGKPAIAHRDFKSRNVLVIADLGLA

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
206
2 C
207
3 V
208
4 G
209
5 K
210
6 G
211
7 R
212
8 Y
213
9 G
214
10 E
215
11 V
216
12 W
217
13 R
218
14 V
226
15 A
227
16 V
228
17 K
229
18 I
230
19 F
231
20 S
238
αC b.l IV
21 W
239
22 F
240
23 R
241
24 E
242
25 T
243
26 E
244
27 I
245
28 Y
246
29 N
247
30 T
248
31 V
249
32 L
250
33 D
254
34 N
255
35 I
256
36 L
257
37 G
258
38 F
259
39 I
260
40 A
261
IV V GK hinge linker αD αE
41 S
262
42 W
274
43 L
275
44 I
276
45 T
277
46 H
278
47 Y
279
48 H
280
49 E
281
50 H
282
51 G
283
52 S
284
53 L
285
54 Y
286
55 D
287
56 F
288
57 L
289
58 Q
290
59 R
291
60 T
320
αE VI c.l VII VIII x
61 Q
321
62 G
322
63 K
323
64 P
324
65 A
325
66 I
326
67 A
327
68 H
328
69 R
329
70 D
330
71 F
331
72 K
332
73 S
333
74 R
334
75 N
335
76 V
336
77 L
337
78 V
338
79 I
346
80 A
347
DFG a.l
81 D
348
82 L
349
83 G
350
84 L
351
85 A
352

Interaction pattern search
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