Receptor
PDB id Resolution Class Description Source Keywords
2BVN 2.3 Å EC: 3.6.1.48 E. COLI EF-TU:GDPNP IN COMPLEX WITH THE ANTIBIOTIC ENACYLOXI ESCHERICHIA COLI TRANSLATION ELONGATION FACTOR GTPASE ANTIBIOTIC GTP-BINDPHOSPHORYLATION
Ref.: ENACYLOXIN IIA PINPOINTS A BINDING POCKET OF ELONGA FACTOR TU FOR DEVELOPMENT OF NOVEL ANTIBIOTICS. J.BIOL.CHEM. V. 281 2893 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ENX A:1396;
B:1396;
Valid;
Valid;
none;
none;
submit data
702.616 C33 H45 Cl2 N O11 CC/C=...
GNP A:1394;
B:1394;
Valid;
Valid;
none;
none;
submit data
522.196 C10 H17 N6 O13 P3 c1nc2...
MG A:1395;
B:1395;
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
2BVN 2.3 Å EC: 3.6.1.48 E. COLI EF-TU:GDPNP IN COMPLEX WITH THE ANTIBIOTIC ENACYLOXI ESCHERICHIA COLI TRANSLATION ELONGATION FACTOR GTPASE ANTIBIOTIC GTP-BINDPHOSPHORYLATION
Ref.: ENACYLOXIN IIA PINPOINTS A BINDING POCKET OF ELONGA FACTOR TU FOR DEVELOPMENT OF NOVEL ANTIBIOTICS. J.BIOL.CHEM. V. 281 2893 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1DG1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 2BVN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
3 1EFC - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 6EZE - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1D2E Kd = 1 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 5W76 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 5W7Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 1DG1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 2BVN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
6 1EFC - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 6EZE - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
8 4H9G - 14J C5 H3 Br O3 c1cc(oc1C(....
9 4LBZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 4LC0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
11 1EXM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
12 2C78 - PUL C47 H66 O13 C[C@@H]1[C....
13 1EFT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
14 4LBV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
15 4LBW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
16 1HA3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 4J0Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
18 5W75 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1D2E Kd = 1 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1DG1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 2BVN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 1EFC - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 6EZE - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
6 4H9G - 14J C5 H3 Br O3 c1cc(oc1C(....
7 4LBZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
8 4J0Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 5W75 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ENX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ENX 1 1
Ligand no: 2; 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 : 2BVN; Ligand: ENX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2bvn.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BVN; Ligand: GNP; Similar sites found with APoc: 187
This union binding pocket(no: 2) in the query (biounit: 2bvn.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1EK0 GNP None
2 1D5C GDP 1.23457
3 1Z0F GDP 1.67598
4 2G77 GDP 1.78117
5 1TAD ALF 1.85185
6 1TAD GDP 1.85185
7 2F9L GDP 2.01005
8 1OIX GDP 2.09424
9 1MH1 GNP 2.15054
10 4LHW GNP 2.29885
11 2D7C GTP 2.39521
12 2QTV GNP 2.79898
13 2FFQ GSP 2.92398
14 3MJH GTP 2.97619
15 2XTZ GSP 3.10734
16 4DKX GDP 3.24074
17 5XC5 GTP 3.40909
18 3WYF GTP 3.78151
19 4D0N GDP 3.78378
20 1TU3 GNP 3.79747
21 1KMQ GNP 3.80435
22 1Z06 GNP 3.81679
23 1MR3 G3D 3.8674
24 5M04 GDP 3.88889
25 4XOI GTP 3.88889
26 1TX4 ALF GDP 3.9548
27 2EW1 GNP 3.9801
28 3SBD GNP 4.07125
29 3Q85 GNP 4.14201
30 5LEF GTP 4.18848
31 4HDO GNP 4.19162
32 4YC7 GNP 4.19948
33 2J59 GTP 4.21687
34 1O3Y GTP 4.21687
35 1J2J GTP 4.21687
36 4GOJ GNP 4.2328
37 3QBT GNP 4.28571
38 3RWO GDP 4.32432
39 3AQ4 GDP 4.34783
40 1RYH GNP 4.4335
41 2GCO GNP 4.47761
42 4ZI2 GNP 4.58015
43 4NON GDP 4.61538
44 1Z08 GNP 4.70588
45 3N5C GDP 4.83461
46 2A5F GTP 4.83461
47 1RE0 GDP 4.97738
48 2FJU GSP 5.05618
49 4M9Q GNP 5.08906
50 5OCG GNP 5.29101
51 1VG1 GDP 5.40541
52 4XSH GSP 5.47945
53 1WF3 GNP 5.59796
54 3PCR GTP 5.60224
55 3E5H GNP 5.61798
56 3REF GDP 5.6701
57 5Z2M GTP 5.68182
58 1YRB GDP 5.72519
59 2BME GNP 5.91398
60 1YZN GNP 5.94595
61 6BC0 GSP 6
62 1BH2 GSP 6.03175
63 5GOE GDP 6.10687
64 4U5X GNP 6.17978
65 1M2O GNP 6.31579
66 4YLG GDP 6.35838
67 4V0K GDP 6.50888
68 6D5G GNP 6.58683
69 6D5E GNP 6.58683
70 6D5J GNP 6.58683
71 6BVL GNP 6.58683
72 6BVJ GNP 6.58683
73 6D59 GNP 6.58683
74 6D5V GNP 6.58683
75 6BVI GNP 6.58683
76 6D56 GNP 6.58683
77 6D5H GNP 6.58683
78 6BVK GNP 6.58683
79 6D5L GNP 6.58683
80 6BVM GNP 6.58683
81 6D55 GNP 6.58683
82 1CLU DBG 6.62651
83 3DDC GNP 6.62651
84 2C5L GTP 6.83761
85 3CX8 GSP 6.87023
86 1S9D GDP 6.89655
87 5O2T GSP 6.95187
88 2GJ8 ALF GDP 6.97674
89 1FZQ GDP 7.18232
90 5SZH GNP 7.38916
91 1ZJ6 G3D 7.48663
92 2W2X GSP 7.56757
93 1YVD GNP 7.69231
94 2HV8 GTP 7.8125
95 3TKL GTP 8.16327
96 1E96 GTP 8.37438
97 3M1I GTP 8.37696
98 4C4P GNP 8.41121
99 1PUJ GNP 8.51064
100 3NKV GNP 8.57143
101 6BCA GSP 8.60927
102 1Z0K GTP 8.72093
103 4DCT GDP 8.90585
104 1S8F GDP 8.90585
105 1YZG GDP 8.93855
106 1R4A GNP 9.09091
107 1M7B GTP 9.23913
108 6BCB GSP 9.58904
109 5JCP GDP ALF 9.7852
110 5EE5 GTP 9.85915
111 2WMO GTP 10
112 4BAS GNP 10.0503
113 1NF3 GNP 10.2564
114 5UPK GNP 10.2703
115 3GJ4 GDP 10.4072
116 3GJ5 GDP 10.4072
117 3GJ8 GDP 10.4072
118 2CJW GDP 10.4167
119 1A4R GDP 10.4712
120 2UZI GTP 10.5769
121 5BXQ GDP 10.6481
122 6AU6 GDP 11.1959
123 3GJ7 GDP 11.2245
124 5DI3 GNP 11.3514
125 1UAD GNP 11.4286
126 1ZC3 GNP 11.4286
127 5WLB GNP 11.7647
128 3T12 GDP ALF 11.7647
129 1U8Z GDP 11.9048
130 2A5J GDP 12.0419
131 2WIC GNP 12.3596
132 1CS4 GSP 12.7226
133 4HAT GNP 12.8571
134 1WA5 GTP 13.0682
135 1Z0A GDP 13.2184
136 2HT6 GDP 13.486
137 4NCN GTP 13.486
138 5TB5 GDP 14
139 3RAB GNP 14.7929
140 4TMZ GSP 15.3623
141 5UWP GNP 15.3846
142 6CIT GNP 15.3846
143 5UWQ GNP 15.3846
144 5UWR GNP 15.3846
145 5UWJ GNP 15.3846
146 5UWI GNP 15.3846
147 5UWH GNP 15.3846
148 5UWT GNP 15.3846
149 5UWO GNP 15.3846
150 5UWW GNP 15.3846
151 5UWU GNP 15.3846
152 5UWS GNP 15.3846
153 4ZKD GDP 15.5216
154 1G7S GDP 15.5216
155 1DAR GDP 15.5216
156 3EC1 GDP 15.5216
157 2ODE ALF GDP 15.6028
158 4B47 GDP 15.978
159 1F6B GDP 16.1616
160 1UPT GTP 16.6667
161 1CXZ GSP 17.4419
162 1KSH GDP 18.2796
163 1NRJ GTP 18.3486
164 3WYG GTP 18.4211
165 3BC1 GNP 18.4615
166 5WDR GNP 18.7134
167 4KVG GTP 19.0476
168 1MKY GDP 19.5929
169 5H7K GDP 20.8651
170 1GUA GNP 21.5569
171 1LFD GNP 21.8391
172 1Z0J GTP 22.0339
173 2W83 GTP 22.0779
174 3DOE GTP 23.4375
175 1X1R GDP 23.5955
176 6G14 G4P 24.4275
177 4KAX GTP 25.4658
178 2WJG GDP 26.0638
179 3CH5 GDP 28.8462
180 2WJH GDP 29.5181
181 5FG3 GDP 29.771
182 4HDQ GNP 30.7692
183 5DIF GNP 31.5789
184 5YT0 GDP 31.5934
185 4RD0 GDP 35.8779
186 2QN6 GDP 36.1323
187 1KK1 GNP 42.4936
Pocket No.: 3; Query (leader) PDB : 2BVN; Ligand: GNP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2bvn.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2BVN; Ligand: ENX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2bvn.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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