Receptor
PDB id Resolution Class Description Source Keywords
2X2E 2 Å EC: 3.6.5.5 DYNAMIN GTPASE DIMER, LONG AXIS FORM HOMO SAPIENS NITRATION HYDROLASE MEMBRANE FISSION NUCLEOTIDE-BINDING ENDOCYTOSIS MOTOR PROTEIN
Ref.: G DOMAIN DIMERIZATION CONTROLS DYNAMIN'S ASSEMBLY-S GTPASE ACTIVITY. NATURE V. 465 435 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP ALF A:1744;
D:1744;
 Valid;
Valid;
 none;
none;
 submit data
543.152 n/a P(=O)...
MG A:1746;
D:1746;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
NA A:1747;
D:1747;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X2E 2 Å EC: 3.6.5.5 DYNAMIN GTPASE DIMER, LONG AXIS FORM HOMO SAPIENS NITRATION HYDROLASE MEMBRANE FISSION NUCLEOTIDE-BINDING ENDOCYTOSIS MOTOR PROTEIN
Ref.: G DOMAIN DIMERIZATION CONTROLS DYNAMIN'S ASSEMBLY-S GTPASE ACTIVITY. NATURE V. 465 435 2010
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2X2F - GDP ALF n/a n/a
2 5D3Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 3ZYC - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
4 2X2E - GDP ALF n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2X2F - GDP ALF n/a n/a
2 5D3Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 3ZYC - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
4 2X2E - GDP ALF n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3T34 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 2X2F - GDP ALF n/a n/a
3 5D3Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 3ZYC - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
5 2X2E - GDP ALF n/a n/a
6 6DEF - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
7 6VJF Kd = 18 uM GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
8 6DI7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 4P4T - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 4H1V - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
11 4H1U - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GDP ALF; Similar ligands found: 102
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP ALF 1 1
2 ALF 5GP 0.857143 1
3 GDP BEF 0.825581 0.925
4 GTP MG 0.816092 0.924051
5 GDP AF3 0.8 1
6 GDP 7MG 0.71 0.879518
7 5GP 0.701149 0.9
8 G 0.701149 0.9
9 GDP 0.7 0.888889
10 GP3 0.688889 0.86747
11 GNH 0.673913 0.878049
12 GP2 0.663043 0.857143
13 GTP 0.659574 0.888889
14 G1R 0.652632 0.878049
15 GCP 0.652632 0.86747
16 GSP 0.645833 0.847059
17 9GM 0.645833 0.86747
18 GNP 0.645833 0.86747
19 G2P 0.645833 0.857143
20 GMV 0.642105 0.890244
21 GAV 0.632653 0.857143
22 G2R 0.613861 0.857143
23 GMP 0.593023 0.802469
24 GPG 0.592233 0.857143
25 G1R G1R 0.591667 0.869048
26 6CK 0.588785 0.903614
27 PGD O 0.586777 0.784946
28 GDC 0.584906 0.857143
29 GDD 0.584906 0.857143
30 Y9Z 0.584906 0.808989
31 GKE 0.584906 0.857143
32 GDR 0.579439 0.857143
33 GFB 0.579439 0.857143
34 GTG 0.579439 0.858824
35 YGP 0.575472 0.827586
36 G3A 0.574074 0.86747
37 KB7 0.571429 0.77907
38 G5P 0.568807 0.86747
39 ALF ADP 0.565657 0.9125
40 GKD 0.563636 0.857143
41 JB2 0.563636 0.857143
42 GDX 0.558559 0.86747
43 GPD 0.558559 0.827586
44 I2C FE2 CMO CMO 0.553719 0.804348
45 G3D 0.54902 0.876543
46 FEG 0.543103 0.808989
47 G4P 0.538462 0.876543
48 ZGP 0.538462 0.8
49 3GP 0.536842 0.864198
50 JB3 0.534483 0.847059
51 NGD 0.529915 0.879518
52 KBD 0.518519 0.77907
53 0O2 0.518519 0.876543
54 U2G 0.516949 0.837209
55 2MD 0.516667 0.8
56 CAG 0.516393 0.811111
57 CG2 0.508333 0.837209
58 G C 0.504132 0.869048
59 MGD 0.504065 0.8
60 KBJ 0.5 0.752809
61 MD1 0.5 0.8
62 DBG 0.492188 0.847059
63 2GP 0.489796 0.853659
64 PGD 0.488189 0.827586
65 TPG 0.48062 0.757895
66 FE9 0.480315 0.755102
67 GPX 0.477064 0.841463
68 M7G A2M G 0.473333 0.784946
69 DGI 0.471154 0.823529
70 BEF ADP 0.461538 0.839506
71 GH3 0.458716 0.865854
72 G4M 0.456522 0.791209
73 DGP 0.455446 0.833333
74 DG 0.455446 0.833333
75 BGO 0.455285 0.825581
76 APC G U 0.453846 0.855422
77 DGT 0.453704 0.823529
78 P2G 0.45098 0.807229
79 AKW 0.443548 0.818182
80 P1G 0.442308 0.797619
81 ATP MG 0.438095 0.8375
82 IDP 0.438095 0.864198
83 ADP PO3 0.438095 0.8375
84 VO4 ADP 0.435185 0.841463
85 GGM 0.433071 0.806818
86 IMP 0.431373 0.875
87 AF3 ADP 3PG 0.430894 0.902439
88 G1G 0.427481 0.848837
89 ADP BEF 0.427184 0.8375
90 ADP MG 0.427184 0.8375
91 5GP 5GP 0.416667 0.851852
92 ALF GDP 0.415929 0.936709
93 G7M 0.413462 0.890244
94 QBQ 0.412844 0.876543
95 GPC 0.412214 0.872093
96 SGP 0.409524 0.758621
97 R5I 0.409091 0.841463
98 R7I 0.409091 0.841463
99 C2E 0.407407 0.841463
100 PCG 0.407407 0.851852
101 35G 0.407407 0.851852
102 OMC OMU OMG OMG U 0.406897 0.83908
Similar Ligands (3D)
Ligand no: 1; Ligand: GDP ALF; Similar ligands found: 15
No: Ligand Similarity coefficient
1 BEF GDP 0.9660
2 ATP 0.9646
3 ADP 0.9644
4 ANP 0.9557
5 ADP ALF 0.9550
6 ACP 0.9543
7 AGS 0.9520
8 DTP 0.9469
9 ADP AF3 0.9225
10 GDP MG 0.9217
11 ATF 0.8998
12 UTP 0.8949
13 CTP 0.8876
14 DSZ 0.8744
15 AMO 0.8739
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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