Receptor
PDB id Resolution Class Description Source Keywords
2GZH 2.47 Å EC: 3.6.5.2 CRYSTAL STRUCTURE OF RAB11 IN COMPLEX WITH RAB11-FAMILY INTERACTING PROTEIN 2 HOMO SAPIENS RAS-LIKE G PROTEIN FOLD A-HELICAL COILED COIL PROTEIN TRANSPORT
Ref.: CRYSTAL STRUCTURE OF RAB11 IN COMPLEX WITH RAB11 FAMILY INTERACTING PROTEIN 2. STRUCTURE V. 14 1273 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTP A:900;
Valid;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
MG A:950;
A:951;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:901;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
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: GTP; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 GTP 1 1
2 GP3 0.921053 0.973684
3 GDP 0.909091 1
4 GSP 0.853659 0.948718
5 GNH 0.82716 0.986667
6 G1R 0.819277 0.986667
7 GAV 0.811765 0.961039
8 9GM 0.809524 0.973684
9 GNP 0.809524 0.973684
10 GCP 0.797619 0.973684
11 5GP 0.797468 0.986486
12 G 0.797468 0.986486
13 GMV 0.764706 0.973684
14 G2R 0.764045 0.961039
15 G5P 0.755319 0.973684
16 GTG 0.752688 0.936709
17 G2P 0.747126 0.961039
18 G3A 0.744681 0.973684
19 GDD 0.741935 0.961039
20 GDC 0.741935 0.961039
21 GKE 0.741935 0.961039
22 0O2 0.736264 0.986486
23 GP2 0.729412 0.961039
24 6CK 0.726316 0.936709
25 Y9Z 0.723404 0.902439
26 GPG 0.717391 0.961039
27 GFB 0.715789 0.961039
28 GDR 0.715789 0.961039
29 GPD 0.704082 0.925
30 GKD 0.693878 0.961039
31 JB2 0.693878 0.961039
32 GDX 0.686869 0.973684
33 ALF 5GP 0.685393 0.888889
34 GH3 0.681319 0.973333
35 YGP 0.677083 0.901235
36 G3D 0.67033 0.986486
37 GDP AF3 0.659574 0.888889
38 ALF GDP 0.659574 0.888889
39 GDP ALF 0.659574 0.888889
40 DGT 0.659341 0.923077
41 GMP 0.658228 0.88
42 G4P 0.655914 0.986486
43 JB3 0.653846 0.948718
44 NGD 0.647619 0.961039
45 CAG 0.642202 0.880952
46 2MD 0.62963 0.891566
47 MGP 0.619565 0.961039
48 U2G 0.616822 0.936709
49 6G0 0.612903 0.961039
50 MGD 0.612613 0.891566
51 TPG 0.608696 0.840909
52 CG2 0.605505 0.936709
53 GDP 7MG 0.601942 0.911392
54 FEG 0.601852 0.879518
55 G G 0.598039 0.948052
56 ZGP 0.59633 0.869048
57 PGD 0.591304 0.925
58 MD1 0.591304 0.891566
59 3GP 0.590909 0.946667
60 GPX 0.581633 0.946667
61 DGI 0.580645 0.923077
62 IDP 0.576087 0.972973
63 DBG 0.567797 0.948718
64 2GP 0.555556 0.96
65 FE9 0.555556 0.776596
66 G4M 0.547619 0.880952
67 BGO 0.544643 0.924051
68 GCP G 0.543689 0.921053
69 ATP 0.537634 0.92
70 HEJ 0.537634 0.92
71 G1G 0.533898 0.925
72 AQP 0.531915 0.92
73 5FA 0.531915 0.92
74 A G 0.525862 0.935065
75 G A A A 0.525862 0.923077
76 U A G G 0.521368 0.935065
77 HFD 0.520833 0.873418
78 R5I 0.520408 0.946667
79 R7I 0.520408 0.946667
80 01G 0.518868 0.902439
81 P2G 0.510638 0.883117
82 ITT 0.510638 0.868421
83 AKW 0.504348 0.890244
84 GGM 0.504274 0.901235
85 G1R G1R 0.504065 0.924051
86 DGP 0.5 0.910256
87 PGD O 0.5 0.850575
88 MGO 0.5 0.864198
89 DG 0.5 0.910256
90 P1G 0.5 0.871795
91 GTA 0.495495 0.936709
92 PRT 0.490741 0.959459
93 B4P 0.489362 0.894737
94 AP5 0.489362 0.894737
95 IMP 0.489362 0.959459
96 G U 0.487179 0.9
97 7DT 0.484536 0.906667
98 GPC 0.479339 0.879518
99 G C 0.478992 0.9
100 BA3 0.478723 0.894737
101 ADP 0.473684 0.92
102 G2Q 0.471698 0.961039
103 6YZ 0.470588 0.896104
104 G7M 0.46875 0.948052
105 C1Z 0.462963 0.986486
106 25L 0.458716 0.907895
107 A2D 0.457447 0.894737
108 RGT 0.45045 0.909091
109 AGS 0.45 0.873418
110 SAP 0.45 0.873418
111 SGP 0.44898 0.82716
112 A4P 0.445378 0.869048
113 G G G RPC 0.442623 0.875
114 ANP 0.441176 0.896104
115 ACQ 0.441176 0.896104
116 8GT 0.441176 0.875
117 APC G U 0.44 0.886076
118 AT4 0.438776 0.884615
119 G U34 0.438017 0.888889
120 6AD 0.436893 0.841463
121 G G G C 0.433071 0.9125
122 UP5 0.432203 0.873418
123 PCG 0.431373 0.933333
124 C2E 0.431373 0.921053
125 35G 0.431373 0.933333
126 A G C C 0.429688 0.911392
127 T99 0.427184 0.884615
128 5GP 5GP 0.427184 0.883117
129 TAT 0.427184 0.884615
130 AR6 0.425743 0.894737
131 APR 0.425743 0.894737
132 7DD 0.424242 0.906667
133 AN2 0.424242 0.907895
134 DG DG 0.423423 0.865854
135 AD9 0.421569 0.896104
136 M33 0.42 0.883117
137 7D4 0.42 0.835443
138 UCG 0.419847 0.911392
139 HDV 0.419048 0.825
140 H6Y 0.419048 0.946667
141 G C C C 0.416667 0.924051
142 ACP 0.415842 0.896104
143 T5A 0.414634 0.802326
144 A1R 0.412844 0.839506
145 ADQ 0.412844 0.871795
146 MGQ 0.412844 0.935897
147 A3R 0.412844 0.839506
148 MGT 0.411215 0.823529
149 A G U 0.410072 0.888889
150 93A 0.41 0.833333
151 A22 0.407407 0.907895
152 CA0 0.405941 0.896104
153 ATF 0.40566 0.884615
154 AGO 0.404762 0.888889
155 MGV 0.401786 0.890244
156 CGP 0.4 0.86747
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
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