Receptor
PDB id Resolution Class Description Source Keywords
4C4P 2 Å EC: 3.6.5.2 CRYSTAL STRUCTURE OF WILD-TYPE RAB11 COMPLEXED TO FIP2 HOMO SAPIENS PROTEIN TRANSPORT EFFECTOR VESICLE TRAFFICKING ENDOSOMES
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF FIP2 BINDING ENDOSOME-LOCALISED RAB25 GTPASE BIOCHIM.BIOPHYS.ACTA V.1834 2679 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1175;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
GNP A:1174;
Valid;
none;
submit data
522.196 C10 H17 N6 O13 P3 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C4P 2 Å EC: 3.6.5.2 CRYSTAL STRUCTURE OF WILD-TYPE RAB11 COMPLEXED TO FIP2 HOMO SAPIENS PROTEIN TRANSPORT EFFECTOR VESICLE TRAFFICKING ENDOSOMES
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF FIP2 BINDING ENDOSOME-LOCALISED RAB25 GTPASE BIOCHIM.BIOPHYS.ACTA V.1834 2679 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4C4P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 2GZD - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 2GZH - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4C4P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 2GZD - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 2GZH - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4C4P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 2GZD - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 2GZH - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GNP; Similar ligands found: 132
No: Ligand ECFP6 Tc MDL keys Tc
1 GNP 1 1
2 9GM 1 1
3 GDP 0.839506 0.973684
4 GP3 0.82716 0.948718
5 GTP 0.809524 0.973684
6 GNH 0.807229 0.986842
7 G1R 0.77907 0.961039
8 GCP 0.77907 0.948718
9 GSP 0.770115 0.925
10 5GP 0.756098 0.960526
11 G 0.756098 0.960526
12 G2R 0.747253 0.936709
13 GMV 0.747126 0.948718
14 GAV 0.714286 0.936709
15 GP2 0.712644 0.936709
16 G2P 0.711111 0.936709
17 Y9Z 0.708333 0.880952
18 GDC 0.690722 0.936709
19 GDD 0.690722 0.936709
20 GKE 0.690722 0.936709
21 G5P 0.686869 0.948718
22 GPG 0.684211 0.936709
23 GTG 0.683673 0.91358
24 GDR 0.683673 0.936709
25 GFB 0.683673 0.936709
26 JB2 0.68 0.936709
27 GKD 0.68 0.936709
28 6CK 0.676768 0.91358
29 G3A 0.676768 0.948718
30 GDX 0.673267 0.948718
31 ALF 5GP 0.67033 0.86747
32 YGP 0.663265 0.879518
33 GPD 0.656863 0.902439
34 ALF GDP 0.645833 0.86747
35 GDP AF3 0.645833 0.86747
36 GDP ALF 0.645833 0.86747
37 JB3 0.641509 0.925
38 DBG 0.640351 0.974359
39 G3D 0.638298 0.960526
40 G4P 0.625 0.960526
41 GMP 0.621951 0.857143
42 NGD 0.62037 0.936709
43 GGM 0.618182 0.925926
44 0O2 0.616162 0.960526
45 2MD 0.603604 0.870588
46 CAG 0.60177 0.904762
47 U2G 0.590909 0.91358
48 FEG 0.590909 0.858824
49 GDP 7MG 0.590476 0.888889
50 MGD 0.587719 0.870588
51 G G 0.586538 0.924051
52 ZGP 0.585586 0.848837
53 CG2 0.580357 0.91358
54 ANP 0.568421 0.922078
55 PGD 0.567797 0.902439
56 MD1 0.567797 0.870588
57 3GP 0.56044 0.922078
58 TPG 0.558333 0.822222
59 GH3 0.55 0.948052
60 FE9 0.546219 0.778947
61 GPX 0.539216 0.922078
62 G4M 0.539062 0.860465
63 DGI 0.536082 0.9
64 BGO 0.535088 0.901235
65 IDP 0.53125 0.947368
66 DGT 0.53 0.9
67 2GP 0.526882 0.935065
68 G1R G1R 0.520325 0.901235
69 GCP G 0.518868 0.897436
70 A G 0.516949 0.911392
71 U A G G 0.512605 0.911392
72 G A A A 0.504202 0.9
73 AGO 0.504202 0.91358
74 P2G 0.5 0.860759
75 G1G 0.5 0.902439
76 R7I 0.49505 0.922078
77 MGP 0.49505 0.936709
78 R5I 0.49505 0.922078
79 PGD O 0.492063 0.831461
80 6G0 0.490196 0.936709
81 P1G 0.489796 0.85
82 AKW 0.483051 0.869048
83 DG 0.474227 0.8875
84 DGP 0.474227 0.8875
85 G U 0.466667 0.878049
86 IMP 0.463918 0.934211
87 G2Q 0.462963 0.936709
88 GPC 0.459677 0.858824
89 G C 0.459016 0.878049
90 GTA 0.448276 0.91358
91 G7M 0.444444 0.924051
92 MAP 0.439252 0.898734
93 G G G RPC 0.435484 0.853659
94 B4P 0.434343 0.871795
95 AP5 0.434343 0.871795
96 ADP 0.434343 0.896104
97 A2D 0.43299 0.871795
98 AT4 0.43 0.8625
99 G G G C 0.426357 0.890244
100 AU1 0.425743 0.922078
101 SGP 0.425743 0.807229
102 BA3 0.424242 0.871795
103 A G C C 0.423077 0.888889
104 35G 0.423077 0.909091
105 PCG 0.423077 0.909091
106 C2E 0.423077 0.897436
107 APC G U 0.421875 0.864198
108 HEJ 0.421569 0.896104
109 ATP 0.421569 0.896104
110 ACQ 0.419048 0.873418
111 5GP 5GP 0.419048 0.860759
112 5FA 0.417476 0.896104
113 AQP 0.417476 0.896104
114 01G 0.417391 0.880952
115 AN2 0.415842 0.909091
116 UNP 0.415842 0.810127
117 6AD 0.415094 0.821429
118 M33 0.411765 0.860759
119 ITT 0.411765 0.846154
120 G C C C 0.410448 0.901235
121 HFD 0.409524 0.851852
122 G U34 0.408 0.86747
123 ACP 0.407767 0.873418
124 6YZ 0.407407 0.873418
125 AR6 0.403846 0.871795
126 APR 0.403846 0.871795
127 DG DG 0.403509 0.845238
128 A4P 0.403226 0.848837
129 UCG 0.402985 0.888889
130 SAP 0.4 0.851852
131 AGS 0.4 0.851852
132 AD9 0.4 0.873418
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4C4P; Ligand: GNP; Similar sites found with APoc: 71
This union binding pocket(no: 1) in the query (biounit: 4c4p.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4NCN GTP 6.93642
2 1GOJ ADP 6.93642
3 3U6B GDP 8.41121
4 5W76 GDP 8.41121
5 2BVN GNP 8.41121
6 5FG3 GDP 9.34579
7 4J0Q GDP 10.2804
8 2FH5 GTP 10.2804
9 4DCT GDP 11.215
10 5W75 GDP 12.1495
11 3EC1 GDP 13.8728
12 5CK5 GDP 14.0187
13 3WY9 GDP 15.8879
14 1YRB GDP 16.8224
15 2VVG ADP 16.8224
16 1SKQ GDP 17.9191
17 5EE5 GTP 20.4678
18 1ZJ6 G3D 21.9653
19 1KK1 GNP 22.5434
20 5DI3 GNP 30.2703
21 4KAX GTP 31.9527
22 1FZQ GDP 32.3699
23 4GOJ GNP 32.3699
24 4ZI2 GNP 32.3699
25 2J59 GTP 32.5301
26 3N5C GDP 33.9506
27 5UPK GNP 35.2601
28 1GRN GDP 35.8382
29 1A4R GNH 35.8382
30 1A4R GDP 35.8382
31 1E96 GTP 46.8208
32 1I4D GDP 47.3988
33 4HAT GNP 47.3988
34 5BXQ GDP 47.3988
35 3WYG GTP 47.3988
36 3M1I GTP 47.3988
37 3WYF GTP 47.3988
38 3CH5 GDP 47.3988
39 1IBR GNP 47.3988
40 1WA5 GTP 47.9769
41 3GJX GTP 47.9769
42 1MH1 GNP 47.9769
43 3SBD GNP 47.9769
44 5JCP GDP ALF 47.9769
45 5IRC GDP 47.9769
46 3GJ4 GDP 48.5549
47 3GJ7 GDP 48.5549
48 3GJ5 GDP 48.5549
49 6BCB GSP 48.5549
50 6BCA GSP 48.5549
51 5UQW GDP 48.6772
52 5WDR GNP 49.1228
53 5UWW GNP 49.1329
54 5UWQ GNP 49.1329
55 5UWO GNP 49.1329
56 5UWU GNP 49.1329
57 5UWP GNP 49.1329
58 6CIT GNP 49.1329
59 5UWI GNP 49.1329
60 5DIF GNP 49.1329
61 5UWR GNP 49.1329
62 5UWT GNP 49.1329
63 5UWH GNP 49.1329
64 5DHF GNP 49.1329
65 5UWS GNP 49.1329
66 5UWJ GNP 49.1329
67 2GCO GNP 49.1329
68 5DI9 GNP 49.1329
69 1X1R GDP 49.4382
70 2J0V GDP 49.711
71 5TB5 GDP 49.7297
APoc FAQ
Feedback