Receptor
PDB id Resolution Class Description Source Keywords
3ZYC 2.2 Å EC: 3.6.5.5 DYNAMIN 1 GTPASE GED FUSION DIMER COMPLEXED WITH GMPPCP HOMO SAPIENS HYDROLASE MEMBRANE FISSION NUCLEOTIDE-BINDING ENDOCYTOSISPROTEIN
Ref.: A PSEUDOATOMIC MODEL OF THE DYNAMIN POLYMER IDENTIF HYDROLYSIS-DEPENDENT POWERSTROKE. CELL(CAMBRIDGE,MASS.) V. 147 209 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GCP A:1749;
D:1749;
Valid;
Valid;
none;
none;
submit data
521.208 C11 H18 N5 O13 P3 c1nc2...
MG A:1750;
D:1750;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
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: GCP; Similar ligands found: 140
No: Ligand ECFP6 Tc MDL keys Tc
1 GCP 1 1
2 GP3 0.8375 0.948718
3 GDP 0.82716 0.973684
4 GNH 0.817073 0.961039
5 GP2 0.804878 0.987013
6 GTP 0.797619 0.973684
7 G1R 0.788235 0.961039
8 9GM 0.77907 0.948718
9 GNP 0.77907 0.948718
10 GSP 0.77907 0.925
11 5GP 0.765432 0.960526
12 G 0.765432 0.960526
13 G2P 0.758621 0.987013
14 GMV 0.755814 0.948718
15 G2R 0.736264 0.961538
16 Y9Z 0.715789 0.903614
17 GAV 0.703297 0.936709
18 G3A 0.701031 0.948718
19 GKE 0.697917 0.936709
20 GDC 0.697917 0.936709
21 GDD 0.697917 0.936709
22 ALF 5GP 0.696629 0.86747
23 G5P 0.693878 0.948718
24 GPG 0.691489 0.936709
25 GFB 0.690722 0.936709
26 GTG 0.690722 0.91358
27 GDR 0.690722 0.936709
28 GDP BEF 0.688889 0.911392
29 GDP AF3 0.688172 0.86747
30 YGP 0.6875 0.879518
31 6CK 0.683673 0.91358
32 GTP MG 0.681319 0.935065
33 JB2 0.67 0.936709
34 GKD 0.67 0.936709
35 GPD 0.663366 0.925926
36 GDX 0.663366 0.948718
37 GDP ALF 0.652632 0.86747
38 JB3 0.632075 0.925
39 GMP 0.62963 0.857143
40 NGD 0.626168 0.936709
41 G3D 0.610526 0.960526
42 2MD 0.609091 0.870588
43 KB7 0.602151 0.807229
44 G4P 0.597938 0.960526
45 U2G 0.59633 0.91358
46 FEG 0.59633 0.880952
47 GDP 7MG 0.596154 0.888889
48 MGD 0.59292 0.870588
49 CAG 0.59292 0.860465
50 ZGP 0.590909 0.870588
51 0O2 0.59 0.960526
52 CG2 0.585586 0.91358
53 KBD 0.574257 0.807229
54 PGD 0.57265 0.902439
55 MD1 0.57265 0.892857
56 3GP 0.566667 0.922078
57 DBG 0.563025 0.925
58 TPG 0.563025 0.842697
59 FE9 0.550847 0.760417
60 ACP 0.548387 0.922078
61 GH3 0.54 0.973684
62 KBJ 0.537736 0.8
63 2GP 0.532609 0.935065
64 G4M 0.53125 0.860465
65 GPX 0.529412 0.922078
66 DGI 0.525773 0.924051
67 IDP 0.520833 0.947368
68 DGT 0.52 0.924051
69 AKW 0.513043 0.869048
70 I2C FE2 CMO CMO 0.512397 0.791209
71 P1G 0.510417 0.873418
72 QBQ 0.50505 0.960526
73 G1G 0.504132 0.902439
74 R7I 0.5 0.922078
75 BGO 0.5 0.901235
76 G1R G1R 0.5 0.901235
77 R5I 0.5 0.922078
78 PGD O 0.496 0.831461
79 ACQ 0.494949 0.922078
80 P2G 0.489583 0.860759
81 GGM 0.487395 0.879518
82 MGP 0.485149 0.936709
83 6G0 0.480392 0.936709
84 6YZ 0.480392 0.922078
85 DG 0.479167 0.911392
86 DGP 0.479167 0.911392
87 GPC 0.47541 0.858824
88 G C 0.475 0.878049
89 4TC 0.470085 0.876543
90 IMP 0.46875 0.934211
91 GTA 0.464912 0.91358
92 NYZ 0.455446 0.961538
93 G2Q 0.453704 0.961538
94 A2D 0.452632 0.871795
95 CZF 0.45098 0.909091
96 G7M 0.44898 0.924051
97 AT4 0.44898 0.8625
98 APC G U 0.448819 0.8875
99 SGP 0.444444 0.807229
100 BA3 0.443299 0.871795
101 ADP 0.438776 0.896104
102 B4P 0.438776 0.871795
103 AP5 0.438776 0.871795
104 ANP 0.436893 0.873418
105 AN2 0.434343 0.884615
106 M33 0.43 0.860759
107 A12 0.428571 0.910256
108 AP2 0.428571 0.910256
109 C2E 0.427184 0.897436
110 35G 0.427184 0.909091
111 PCG 0.427184 0.909091
112 ATP 0.425743 0.896104
113 HEJ 0.425743 0.896104
114 5GP 5GP 0.423077 0.860759
115 AR6 0.421569 0.871795
116 APR 0.421569 0.871795
117 5FA 0.421569 0.896104
118 AQP 0.421569 0.896104
119 AGS 0.417476 0.851852
120 AD9 0.417476 0.873418
121 UP5 0.416667 0.851852
122 CA0 0.415842 0.873418
123 ATF 0.415094 0.8625
124 HFD 0.413462 0.851852
125 O02 0.413462 0.9
126 JSQ 0.413462 0.851852
127 KG4 0.411765 0.873418
128 M7G A2M G 0.411765 0.811111
129 A1R 0.409091 0.841463
130 PRT 0.408696 0.934211
131 01G 0.408696 0.880952
132 APC 0.407767 0.910256
133 A4P 0.406504 0.848837
134 UCG 0.406015 0.888889
135 7DD 0.405941 0.883117
136 93A 0.405941 0.813953
137 6AD 0.40566 0.821429
138 ADX 0.401961 0.790698
139 GZ0 0.401639 0.949367
140 AGO 0.401575 0.86747
Similar Ligands (3D)
Ligand no: 1; Ligand: GCP; Similar ligands found: 24
No: Ligand Similarity coefficient
1 BEF GDP 0.9930
2 ALF GDP 0.9782
3 BEF ADP 0.9638
4 DTP 0.9553
5 ADP AF3 0.9434
6 ADP ALF 0.9433
7 GDP MG 0.9412
8 ADP BEF 0.9366
9 ADP MG 0.9130
10 VO4 ADP 0.9105
11 UTP 0.9022
12 CTP 0.9014
13 8DG 0.8919
14 DSZ 0.8833
15 AMO 0.8830
16 MGT 0.8785
17 3AT 0.8730
18 A5A 0.8717
19 5AL 0.8677
20 DAT 0.8646
21 SSA 0.8643
22 G5A 0.8612
23 KAA 0.8610
24 SAM 0.8586
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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