Receptor
PDB id Resolution Class Description Source Keywords
3PCR 2.5 Å NON-ENZYME: OTHER STRUCTURE OF ESPG-ARF6 COMPLEX ESCHERICHIA COLI BACTERIAL EFFECTOR SMALL G PROTEIN SMALL GTP-BINDING PROTEADP-RIBOSYLATION FACTOR 6 PROTEIN TRANSPORT
Ref.: THE ASSEMBLY OF A GTPASE-KINASE SIGNALLING COMPLEX BACTERIAL CATALYTIC SCAFFOLD. NATURE V. 469 107 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTP B:1230;
Valid;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
MG B:1231;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PCR 2.5 Å NON-ENZYME: OTHER STRUCTURE OF ESPG-ARF6 COMPLEX ESCHERICHIA COLI BACTERIAL EFFECTOR SMALL G PROTEIN SMALL GTP-BINDING PROTEADP-RIBOSYLATION FACTOR 6 PROTEIN TRANSPORT
Ref.: THE ASSEMBLY OF A GTPASE-KINASE SIGNALLING COMPLEX BACTERIAL CATALYTIC SCAFFOLD. NATURE V. 469 107 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3PCR - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3PCR - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3PCR - 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 : 3PCR; Ligand: GTP; Similar sites found with APoc: 71
This union binding pocket(no: 1) in the query (biounit: 3pcr.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1KK1 GNP 3.08642
2 4RD0 GDP 3.7037
3 1SKQ GDP 4.93827
4 3EC1 GDP 4.93827
5 3Q72 GNP 5.42169
6 2BVN GNP 5.60224
7 6G14 G4P 5.78231
8 1YRB GDP 6.17284
9 3WXM GTP 6.17284
10 5FG3 GDP 8.02469
11 2C5L GTP 8.54701
12 3W5J GDP 8.82353
13 4NCN GTP 10.4938
14 5O2T GSP 17.9012
15 5TB5 GDP 17.9012
16 2C78 GNP 22.2222
17 2C77 GNP 22.2222
18 1CS4 GSP 23.4568
19 2XTZ GSP 23.4568
20 6AU6 GDP 23.4568
21 3CH5 GDP 24.0741
22 5BXQ GDP 24.0741
23 5UWU GNP 24.0741
24 5UWQ GNP 24.0741
25 5UWI GNP 24.0741
26 4HAT GNP 24.0741
27 5UWR GNP 24.0741
28 5UWO GNP 24.0741
29 5UWW GNP 24.0741
30 6CIT GNP 24.0741
31 5UWH GNP 24.0741
32 5DIF GNP 24.0741
33 5DHF GNP 24.0741
34 5UWS GNP 24.0741
35 3M1I GTP 24.0741
36 3GJ5 GDP 24.6914
37 3GJ4 GDP 24.6914
38 3GJ7 GDP 24.6914
39 5UWT GNP 26.087
40 1NRJ GTP 26.1468
41 5UWP GNP 26.3158
42 4DCT GDP 29.0123
43 1FQJ ALF 29.6296
44 1FQK ALF 29.6296
45 1BH2 GSP 30.2469
46 2ODE ALF GDP 30.2469
47 1SVK ALF GDP 30.8642
48 1VG1 GDP 31.4815
49 3CX8 GSP 32.0988
50 3T12 GDP ALF 32.0988
51 1Z0K GTP 32.0988
52 1Z0A GDP 32.716
53 1S8F GDP 32.716
54 2BME GNP 32.716
55 5CK5 GDP 33.3333
56 1WA5 GTP 33.3333
57 2FFQ GSP 33.9506
58 1Z0J GTP 34.5679
59 1YVD GNP 35.1852
60 3MJH GTP 35.8025
61 1TAD GDP 37.037
62 1TAD ALF 37.037
63 3BC1 GNP 37.037
64 5O74 GDP 38.2716
65 2FH5 GTP 38.8889
66 3QBT GNP 38.8889
67 5XC5 GTP 39.5062
68 1Z06 GNP 39.5062
69 3RAB GNP 42.5926
70 1M2O GNP 46.2963
71 1F6B GDP 48.1481
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