Receptor
PDB id Resolution Class Description Source Keywords
2GOO 2.2 Å EC: 2.7.11.30 TERNARY COMPLEX OF BMP-2 BOUND TO BMPR-IA-ECD AND ACTRII-ECD HOMO SAPIENS TGF-BETA BMP-2 BMPR-IA ACTRII ALK-3 TRANSFERASE
Ref.: STRUCTURE OF THE TERNARY SIGNALING COMPLEX OF A TGF-BETA SUPERFAMILY MEMBER. PROC.NATL.ACAD.SCI.USA V. 103 7643 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDG C:402;
C:403;
F:400;
F:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GOO 2.2 Å EC: 2.7.11.30 TERNARY COMPLEX OF BMP-2 BOUND TO BMPR-IA-ECD AND ACTRII-ECD HOMO SAPIENS TGF-BETA BMP-2 BMPR-IA ACTRII ALK-3 TRANSFERASE
Ref.: STRUCTURE OF THE TERNARY SIGNALING COMPLEX OF A TGF-BETA SUPERFAMILY MEMBER. PROC.NATL.ACAD.SCI.USA V. 103 7643 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2GOO - NDG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2GOO - NDG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2GOO - NDG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDG; Similar ligands found: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG 1 1
2 HSQ 1 1
3 NGA 1 1
4 A2G 1 1
5 NDG 1 1
6 BM3 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 GAL NGA A2G 0.614035 0.816327
11 STZ 0.612245 0.65
12 16G 0.591837 0.735849
13 BMX 0.591837 0.735849
14 4QY 0.591837 0.735849
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NAG GDL 0.54386 0.833333
18 CBS 0.54386 0.833333
19 CBS CBS 0.54386 0.833333
20 NAG NDG 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 2F8 0.530612 0.909091
24 MAG 0.530612 0.909091
25 NLC 0.517857 0.888889
26 GAL NDG 0.517857 0.888889
27 NDG GAL 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 MAN NAG 0.508772 0.888889
32 4UZ 0.508475 0.808511
33 NDG NAG NAG 0.508197 0.816327
34 CTO 0.508197 0.816327
35 NAG NAG NDG 0.508197 0.816327
36 NAG NAG NAG NDG 0.508197 0.816327
37 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
38 NDG NAG NAG NDG 0.508197 0.816327
39 NAG NAG NAG NAG 0.508197 0.816327
40 NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NDG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 NDG NAG NAG NDG NAG 0.508197 0.816327
44 NDG NAG NAG NAG 0.508197 0.816327
45 NAG NAG NAG NAG NDG 0.508197 0.816327
46 NAG NAG NAG NAG NAG 0.508197 0.816327
47 NBG 0.5 0.951219
48 MQG 0.5 0.698113
49 A2G GAL 0.491228 0.888889
50 GAL A2G 0.491228 0.888889
51 GAL NGA 0.491228 0.888889
52 AMU 0.490909 0.930233
53 GN1 0.490566 0.754717
54 NG1 0.490566 0.754717
55 NDG NAG 0.47541 0.816327
56 NAG GAL 0.474576 0.888889
57 NGA GAL 0.474576 0.888889
58 NAG FUC 0.474576 0.866667
59 GAL NAG 0.474576 0.888889
60 NAG GAL NAG 0.455882 0.833333
61 FUC NAG 0.45 0.888889
62 3YW 0.448276 0.930233
63 GLA GAL NAG 0.446154 0.888889
64 MAN BMA NAG 0.446154 0.888889
65 NAG GAL GAL 0.446154 0.888889
66 FUL GAL NAG 0.426471 0.869565
67 G6S NAG 0.426471 0.677966
68 DR2 0.426471 0.869565
69 FUC GAL NDG 0.426471 0.869565
70 FUC GAL NAG 0.426471 0.869565
71 NDG GAL FUC 0.426471 0.869565
72 GYU 0.42623 0.740741
73 TNR 0.42623 0.833333
74 NAG BDP 0.421875 0.851064
75 NAG MBG 0.419355 0.851064
76 NGA GAL BGC 0.41791 0.888889
77 NAG NAG 0.415385 0.784314
78 AZC 0.415094 0.795918
79 SN5 SN5 0.412698 0.705882
80 MBG A2G 0.412698 0.851064
81 A2G MBG 0.412698 0.851064
82 HS2 0.411765 0.8125
83 5AX 0.411765 0.866667
84 6ZC 0.409091 0.655738
85 LEC 0.409091 0.655738
86 GAL BGC NAG GAL 0.408451 0.888889
87 TCG 0.408451 0.689655
88 CTO TMX 0.408451 0.689655
89 NAG NAG NAG NAG NAG NAG NAG 0.407895 0.740741
90 BMA 0.404762 0.7
91 WOO 0.404762 0.7
92 ALL 0.404762 0.7
93 GLA 0.404762 0.7
94 MAN 0.404762 0.7
95 GAL 0.404762 0.7
96 GLC 0.404762 0.7
97 GXL 0.404762 0.7
98 GIV 0.404762 0.7
99 BGC 0.404762 0.7
100 NAG AMU 0.402778 0.8
101 NAG MUB 0.402778 0.8
102 A2G GAL FUC 0.4 0.869565
103 DR3 0.4 0.869565
104 NAG GAL FUC 0.4 0.869565
105 FUC GL0 A2G 0.4 0.869565
106 A2G GLA FUC 0.4 0.869565
107 FUC GAL A2G 0.4 0.869565
108 NGA GAL FUC 0.4 0.869565
109 FUC GLA A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GOO; Ligand: NDG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2goo.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GOO; Ligand: NDG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2goo.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2GOO; Ligand: NDG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2goo.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2GOO; Ligand: NDG; Similar sites found: 36
This union binding pocket(no: 4) in the query (biounit: 2goo.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZSC BTN 0.004645 0.43223 None
2 5UIU 8CG 0.007576 0.43237 3.09598
3 1SWG BTN 0.01984 0.40303 3.125
4 1LOJ U 0.002595 0.40341 3.44828
5 1M26 GAL A2G 0.005154 0.40894 3.81679
6 5A67 3PO 0.002351 0.44121 4.38596
7 3O03 NAP 0.02944 0.42275 4.90196
8 3BQ5 HCS 0.04022 0.41028 5.88235
9 2XIQ MLC 0.01604 0.41649 6.14035
10 2A4W BLM 0.02195 0.40495 6.14035
11 4LWA Q13 0.02877 0.43035 6.86275
12 3SCH TB6 0.003368 0.4208 6.87023
13 4CCK OGA 0.006445 0.42764 7.01754
14 1L7E NAI 0.02051 0.41728 7.01754
15 2B9H ADP 0.001552 0.45844 7.63359
16 1ORR NAD 0.01711 0.44239 7.84314
17 1XTP SAI 0.02075 0.40146 7.84314
18 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.002589 0.40065 7.89474
19 3EW2 BTN 0.01278 0.403 8.82353
20 4K39 SAM 0.01874 0.4111 9.16031
21 4K38 SAM 0.0248 0.40269 9.16031
22 4EIP K2C 0.01098 0.45109 9.80392
23 4EIP FAD 0.02108 0.42374 9.80392
24 4YLL 4E3 0.02649 0.40168 9.80392
25 3UDZ ADP 0.004661 0.44418 10.5263
26 3CH6 311 0.0158 0.44533 10.7843
27 3CH6 NAP 0.0158 0.44533 10.7843
28 5UKL SIX 0.02282 0.40266 10.7843
29 3PE2 E1B 0.01095 0.45418 12.2807
30 2JEN GLC GLC XYS XYS 0.0111 0.40218 13.7405
31 1Y52 BTN 0.007744 0.43843 14.7059
32 1XHL NDP 0.02516 0.42109 14.9123
33 2B8W ALF 5GP 0.03135 0.40725 20.1754
34 4BVA T3 0.03318 0.40532 20.1754
35 4OCX MT1 0.0122 0.40371 21.374
36 2C4I BTN 0.005694 0.40129 23.6842
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