Receptor
PDB id Resolution Class Description Source Keywords
2C77 1.6 Å EC: 3.1.5.1 EF-TU COMPLEXED WITH A GTP ANALOG AND THE ANTIBIOTIC GE2270 THERMUS THERMOPHILUS HYDROLASE-ANTIBIOTIC COMPLEX THIOPEPTIDE ANTIBIOTIC ANTIBTHIAZOLE OXAZOLE HYDROLASE GTPASE TRANSLATION ELONGATIOPROTEIN SYNTHESIS NUCLEOTIDE-BINDING PHOSPHORYLATION
Ref.: STRUCTURAL BASIS OF THE ACTION OF PULVOMYCIN AND GE ELONGATION FACTOR TU. BIOCHEMISTRY V. 45 6846 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GNP A:1406;
Valid;
none;
submit data
522.196 C10 H17 N6 O13 P3 c1nc2...
MG A:1407;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PEG A:1409;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2C77 1.6 Å EC: 3.1.5.1 EF-TU COMPLEXED WITH A GTP ANALOG AND THE ANTIBIOTIC GE2270 THERMUS THERMOPHILUS HYDROLASE-ANTIBIOTIC COMPLEX THIOPEPTIDE ANTIBIOTIC ANTIBTHIAZOLE OXAZOLE HYDROLASE GTPASE TRANSLATION ELONGATIOPROTEIN SYNTHESIS NUCLEOTIDE-BINDING PHOSPHORYLATION
Ref.: STRUCTURAL BASIS OF THE ACTION OF PULVOMYCIN AND GE ELONGATION FACTOR TU. BIOCHEMISTRY V. 45 6846 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2C77 - GNP C10 H17 N6 O13 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 1 families.
1 2C77 - GNP C10 H17 N6 O13 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 1 families.
1 2C77 - GNP C10 H17 N6 O13 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 : 2C77; Ligand: GNP; Similar sites found with APoc: 130
This union binding pocket(no: 1) in the query (biounit: 2c77.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 6AU6 GDP 2.91777
2 3EC1 GDP 2.98103
3 4M9Q GNP 3.0837
4 3N5C GDP 3.08642
5 3GJ3 GDP 3.16742
6 1Z06 GNP 3.1746
7 1WF3 GNP 3.32226
8 1TAD GDP 3.39506
9 1TAD ALF 3.39506
10 1Z0A GDP 3.44828
11 3M1I GTP 3.45679
12 2FFQ GSP 3.50877
13 1OIX GDP 3.66492
14 2XTZ GSP 3.67232
15 2GCO GNP 3.9801
16 2HV8 GTP 4.06977
17 3GJ5 GDP 4.0724
18 3GJ4 GDP 4.0724
19 4LC1 GDP 4.1543
20 1FZQ GDP 4.41989
21 6G14 G4P 4.42177
22 3CX8 GSP 4.4335
23 2G77 GDP 4.69136
24 4D0N GDP 4.86486
25 6BCB GSP 4.86486
26 1RE0 GDP 4.87805
27 1KMQ GNP 4.8913
28 4XOI GTP 5
29 1BH2 GSP 5.07937
30 1WA5 GTP 5.18518
31 2WIC GNP 5.24345
32 5JCP GDP ALF 5.2506
33 3W5J GDP 5.39216
34 1O3Y GTP 5.42169
35 1J2J GTP 5.42169
36 2J59 GTP 5.42169
37 4DKX GDP 5.55556
38 1GUA GNP 5.98802
39 1MH1 GNP 6.45161
40 2BME GNP 6.45161
41 6BC0 GSP 6.66667
42 1Z0K GTP 7.24638
43 4DCT GDP 7.40741
44 4HDO GNP 7.45342
45 2HT6 GDP 7.47126
46 1F6B GDP 7.57576
47 5UWP GNP 7.69231
48 5DIF GNP 7.69231
49 5UWQ GNP 7.69231
50 5UWO GNP 7.69231
51 5DHF GNP 7.69231
52 5UWH GNP 7.69231
53 5UWS GNP 7.69231
54 5O74 GDP 7.77778
55 4HAT GNP 7.85714
56 1E96 GTP 7.88177
57 6D5E GNP 7.90123
58 6D5J GNP 7.90123
59 6BVJ GNP 7.90123
60 6D56 GNP 7.90123
61 6D5G GNP 7.90123
62 6BVL GNP 7.90123
63 6D5H GNP 7.90123
64 6BVI GNP 7.90123
65 6BVK GNP 7.90123
66 6D5V GNP 7.90123
67 3NKV GNP 8
68 1ZJ6 G3D 8.02139
69 1UAD GNP 8.08081
70 5WDR GNP 8.18713
71 3WYF GTP 8.40336
72 5BXQ GDP 8.66142
73 1PUJ GNP 8.86525
74 1NRJ GTP 9.17431
75 2W2X GSP 9.18919
76 5EE5 GTP 9.35672
77 2C5L GTP 9.40171
78 3RAB GNP 9.46746
79 1YRB GDP 9.54198
80 4GOJ GNP 9.58333
81 4ZI2 GNP 9.62963
82 1CS4 GSP 9.90566
83 4BAS GNP 10.0503
84 1YVD GNP 10.0592
85 2FJU GSP 10.1235
86 1Z0J GTP 10.1695
87 1ZC3 GNP 10.6195
88 2EW1 GNP 10.9453
89 5SZH GNP 11.1111
90 2FH5 GTP 11.215
91 5O2T GSP 11.8343
92 5LEF GTP 12.1212
93 3GJ7 GDP 12.2449
94 5DI3 GNP 12.4324
95 3DOE GTP 12.5
96 2QTV GNP 13.7725
97 4NCN GTP 14.321
98 1VG1 GDP 14.5946
99 5WLB GNP 14.7059
100 5XC5 GTP 14.7727
101 3T12 GDP ALF 15.1515
102 1WDT GTP 15.5556
103 3Q72 GNP 15.6627
104 1UPT GTP 16.6667
105 4TMZ GSP 16.8116
106 5FG3 GDP 17.284
107 3WYG GTP 18.4211
108 1R4A GNP 19.6078
109 1KSH GDP 19.8925
110 4KAX GTP 20.1183
111 2W83 GTP 20.6061
112 5UPK GNP 20.8333
113 4R98 GNH 21.0332
114 3PCR GTP 22.2222
115 3CH5 GDP 23.0769
116 6CIT GNP 23.8095
117 2A5F GTP 23.8342
118 1CXZ GSP 26.7442
119 3BC1 GNP 27.1186
120 2WJG GDP 27.6596
121 4HDQ GNP 30.7692
122 4RD0 GDP 32.0988
123 2QN6 GDP 32.3457
124 5H7J GCP 34.0741
125 5H7K GDP 34.7607
126 5UWT GNP 34.7826
127 4ZKD GDP 36.5432
128 5UWW GNP 38.0952
129 1KK1 GNP 39.7531
130 5UWU GNP 45
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