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 1610 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 1331 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 1144 families.
1 3PCR - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GTP; Similar ligands found: 155
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 GDP BEF 0.696629 0.935065
31 JB2 0.693878 0.961039
32 GKD 0.693878 0.961039
33 GTP MG 0.688889 0.96
34 GDX 0.686869 0.973684
35 ALF 5GP 0.685393 0.888889
36 GH3 0.681319 0.973333
37 YGP 0.677083 0.901235
38 G3D 0.67033 0.986486
39 GDP AF3 0.659574 0.888889
40 GDP ALF 0.659574 0.888889
41 DGT 0.659341 0.923077
42 GMP 0.658228 0.88
43 G4P 0.655914 0.986486
44 JB3 0.653846 0.948718
45 NGD 0.647619 0.961039
46 QBQ 0.644444 0.986486
47 CAG 0.642202 0.880952
48 2MD 0.62963 0.891566
49 MGP 0.619565 0.961039
50 U2G 0.616822 0.936709
51 6G0 0.612903 0.961039
52 MGD 0.612613 0.891566
53 KB7 0.608696 0.82716
54 TPG 0.608696 0.840909
55 CG2 0.605505 0.936709
56 GDP 7MG 0.601942 0.911392
57 FEG 0.601852 0.879518
58 ZGP 0.59633 0.869048
59 PGD 0.591304 0.925
60 MD1 0.591304 0.891566
61 3GP 0.590909 0.946667
62 GPX 0.581633 0.946667
63 CZF 0.580645 0.933333
64 DGI 0.580645 0.923077
65 IDP 0.576087 0.972973
66 DBG 0.567797 0.948718
67 KBD 0.564356 0.82716
68 2GP 0.555556 0.96
69 FE9 0.555556 0.776596
70 G4M 0.547619 0.880952
71 BGO 0.544643 0.924051
72 KBJ 0.542857 0.797619
73 HEJ 0.537634 0.92
74 ATP 0.537634 0.92
75 G1G 0.533898 0.925
76 AQP 0.531915 0.92
77 5FA 0.531915 0.92
78 JSQ 0.520833 0.873418
79 HFD 0.520833 0.873418
80 R7I 0.520408 0.946667
81 R5I 0.520408 0.946667
82 01G 0.518868 0.902439
83 I2C FE2 CMO CMO 0.516667 0.808989
84 ITT 0.510638 0.868421
85 P2G 0.510638 0.883117
86 AKW 0.504348 0.890244
87 GGM 0.504274 0.901235
88 G1R G1R 0.504065 0.924051
89 DG 0.5 0.910256
90 DGP 0.5 0.910256
91 PGD O 0.5 0.850575
92 MGO 0.5 0.864198
93 P1G 0.5 0.871795
94 GTA 0.495495 0.936709
95 PRT 0.490741 0.959459
96 AP5 0.489362 0.894737
97 IMP 0.489362 0.959459
98 B4P 0.489362 0.894737
99 7DT 0.484536 0.906667
100 GPC 0.479339 0.879518
101 G C 0.478992 0.9
102 BA3 0.478723 0.894737
103 ADP 0.473684 0.92
104 G2Q 0.471698 0.961039
105 6YZ 0.470588 0.896104
106 G7M 0.46875 0.948052
107 C1Z 0.462963 0.986486
108 25L 0.458716 0.907895
109 A2D 0.457447 0.894737
110 RGT 0.45045 0.909091
111 AGS 0.45 0.873418
112 SGP 0.44898 0.82716
113 A4P 0.445378 0.869048
114 ANP 0.441176 0.896104
115 8GT 0.441176 0.875
116 ACQ 0.441176 0.896104
117 APC G U 0.440945 0.886076
118 AT4 0.438776 0.884615
119 6AD 0.436893 0.841463
120 UP5 0.432203 0.873418
121 35G 0.431373 0.933333
122 C2E 0.431373 0.921053
123 PCG 0.431373 0.933333
124 5GP 5GP 0.427184 0.883117
125 TAT 0.427184 0.884615
126 T99 0.427184 0.884615
127 APR 0.425743 0.894737
128 AR6 0.425743 0.894737
129 AN2 0.424242 0.907895
130 7DD 0.424242 0.906667
131 AD9 0.421569 0.896104
132 7D4 0.42 0.835443
133 M33 0.42 0.883117
134 UCG 0.419847 0.911392
135 HDV 0.419048 0.825
136 H6Y 0.419048 0.946667
137 GZ0 0.416667 0.948718
138 ACP 0.415842 0.896104
139 T5A 0.414634 0.802326
140 A3R 0.412844 0.839506
141 MGQ 0.412844 0.935897
142 A1R 0.412844 0.839506
143 ADQ 0.412844 0.871795
144 HQG 0.411215 0.907895
145 MGT 0.411215 0.823529
146 93A 0.41 0.833333
147 A22 0.407407 0.907895
148 CA0 0.405941 0.896104
149 ATF 0.40566 0.884615
150 M7G A2M G 0.405229 0.808989
151 AGO 0.404762 0.888889
152 NYZ 0.403846 0.935897
153 KG4 0.401961 0.896104
154 MGV 0.401786 0.890244
155 CGP 0.4 0.86747
Similar Ligands (3D)
Ligand no: 1; Ligand: GTP; Similar ligands found: 41
No: Ligand Similarity coefficient
1 BEF GDP 0.9967
2 ALF GDP 0.9831
3 BEF ADP 0.9768
4 DTP 0.9699
5 8DG 0.9681
6 3AT 0.9677
7 APC 0.9540
8 GDP MG 0.9519
9 ADP BEF 0.9514
10 ADP ALF 0.9503
11 ADP AF3 0.9408
12 ALF ADP 0.9332
13 HF7 0.9242
14 UTP 0.9210
15 DZ4 0.9149
16 CTP 0.9139
17 AMO 0.9072
18 ADP MG 0.9070
19 DSZ 0.8952
20 2KH 0.8870
21 TTP 0.8866
22 6U4 0.8793
23 54H 0.8791
24 VO4 ADP 0.8791
25 EEM 0.8762
26 ATP MG 0.8751
27 SSA 0.8728
28 5AL 0.8707
29 SAM 0.8703
30 KAA 0.8702
31 2TM 0.8697
32 DCP 0.8670
33 DAT 0.8669
34 ADX 0.8660
35 GSU 0.8654
36 SFG 0.8645
37 8X1 0.8616
38 A5A 0.8614
39 D3T 0.8609
40 G5A 0.8580
41 RSN 0.8567
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: 120
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 1NVV GNP 7.22892
11 1NVV GNP 7.22892
12 1NVV GNP 7.22892
13 5FG3 GDP 8.02469
14 2C5L GTP 8.54701
15 2C5L GTP 8.54701
16 3W5J GDP 8.82353
17 4NCN GTP 10.4938
18 4NCN GTP 10.4938
19 4K81 GTP 12.0155
20 1ZC3 GNP 16.8142
21 5O2T GSP 17.9012
22 5TB5 GDP 17.9012
23 2C78 GNP 22.2222
24 2C77 GNP 22.2222
25 1CS4 GSP 23.4568
26 2XTZ GSP 23.4568
27 2XTZ GSP 23.4568
28 2XTZ GSP 23.4568
29 6AU6 GDP 23.4568
30 5BXQ GDP 24.0741
31 5BXQ GDP 24.0741
32 3CH5 GDP 24.0741
33 5BXQ GDP 24.0741
34 5UWU GNP 24.0741
35 5UWQ GNP 24.0741
36 5UWI GNP 24.0741
37 6X2Y GNP 24.0741
38 4HAT GNP 24.0741
39 5UWR GNP 24.0741
40 5UWO GNP 24.0741
41 5UWW GNP 24.0741
42 6CIT GNP 24.0741
43 5UWH GNP 24.0741
44 5DIF GNP 24.0741
45 5DHF GNP 24.0741
46 5UWS GNP 24.0741
47 6X2U GNP 24.0741
48 6X2S GNP 24.0741
49 1IBR GNP 24.0741
50 6X2P GNP 24.0741
51 3M1I GTP 24.0741
52 3GJ5 GDP 24.6914
53 3GJ4 GDP 24.6914
54 3GJ7 GDP 24.6914
55 5UWT GNP 26.087
56 1NRJ GTP 26.1468
57 5UWP GNP 26.3158
58 4DCT GDP 29.0123
59 5WDR GNP 29.2398
60 5WDR GNP 29.2398
61 1FQJ ALF 29.6296
62 1FQK ALF 29.6296
63 1BH2 GSP 30.2469
64 2ODE ALF GDP 30.2469
65 5Z2M GTP 30.8642
66 1SVK ALF GDP 30.8642
67 1VG8 GNP 31.4815
68 1VG8 GNP 31.4815
69 1VG8 GNP 31.4815
70 1VG1 GDP 31.4815
71 3CX8 GSP 32.0988
72 3T12 GDP ALF 32.0988
73 1Z0K GTP 32.0988
74 2D7C GTP 32.0988
75 1Z0K GTP 32.0988
76 6IZW GSP 32.716
77 1Z0A GDP 32.716
78 1Z0A GDP 32.716
79 2BME GNP 32.716
80 2BME GNP 32.716
81 2BME GNP 32.716
82 1Z0A GDP 32.716
83 1Z0A GDP 32.716
84 1S8F GDP 32.716
85 1Z0A GDP 32.716
86 2BME GNP 32.716
87 5CK5 GDP 33.3333
88 5CK5 GDP 33.3333
89 5CK5 GDP 33.3333
90 2FFQ GSP 33.9506
91 1Z0J GTP 34.5679
92 1Z08 GNP 34.5679
93 1YVD GNP 35.1852
94 3MJH GTP 35.8025
95 3MJH GTP 35.8025
96 1TU3 GNP 36.4198
97 1TU3 GNP 36.4198
98 1TU3 GNP 36.4198
99 1TAD GDP 37.037
100 1TAD ALF 37.037
101 3BC1 GNP 37.037
102 3BC1 GNP 37.037
103 5O74 GDP 38.2716
104 5O74 GDP 38.2716
105 2FH5 GTP 38.8889
106 3QBT GNP 38.8889
107 3QBT GNP 38.8889
108 3QBT GNP 38.8889
109 3QBT GNP 38.8889
110 2FH5 GTP 38.8889
111 2FH5 GTP 38.8889
112 5XC5 GTP 39.5062
113 1Z06 GNP 39.5062
114 3RAB GNP 42.5926
115 1M2O GNP 46.2963
116 1M2O GNP 46.2963
117 1M2O GNP 46.2963
118 1M2O GNP 46.2963
119 1F6B GDP 48.1481
120 1F6B GDP 48.1481
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