Receptor
PDB id Resolution Class Description Source Keywords
3T12 2.2 Å EC: 3.6.5.2 MGLA IN COMPLEX WITH MGLB IN TRANSITION STATE THERMUS THERMOPHILUS G-DOMAIN CONTAINING PROTEIN BACTERIAL POLARITY MOTILITY HOMODIMERIC GAP PROTEIN POLE LOCALISATION ALPHA/BETA PROTGTPASE HYDROLASE-SIGNALING PROTEIN COMPLEX
Ref.: STRUCTURAL ANALYSIS OF THE RAS-LIKE G PROTEIN MGLA COGNATE GAP MGLB AND IMPLICATIONS FOR BACTERIAL POL EMBO J. V. 30 4185 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP ALF A:197;
 Valid;
 none;
 submit data
543.152 n/a P(=O)...
MG A:198;
A:199;
B:1;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3T12 2.2 Å EC: 3.6.5.2 MGLA IN COMPLEX WITH MGLB IN TRANSITION STATE THERMUS THERMOPHILUS G-DOMAIN CONTAINING PROTEIN BACTERIAL POLARITY MOTILITY HOMODIMERIC GAP PROTEIN POLE LOCALISATION ALPHA/BETA PROTGTPASE HYDROLASE-SIGNALING PROTEIN COMPLEX
Ref.: STRUCTURAL ANALYSIS OF THE RAS-LIKE G PROTEIN MGLA COGNATE GAP MGLB AND IMPLICATIONS FOR BACTERIAL POL EMBO J. V. 30 4185 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 3T12 - GDP ALF n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3T12 - GDP ALF n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3T12 - GDP ALF n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP ALF; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 ALF GDP 1 1
2 GDP ALF 1 1
3 ALF 5GP 0.857143 1
4 GDP AF3 0.8 1
5 GDP 7MG 0.71 0.879518
6 G 0.701149 0.9
7 5GP 0.701149 0.9
8 GDP 0.7 0.888889
9 GP3 0.688889 0.86747
10 GNH 0.673913 0.878049
11 GP2 0.663043 0.857143
12 GTP 0.659574 0.888889
13 G1R 0.652632 0.878049
14 GCP 0.652632 0.86747
15 9GM 0.645833 0.86747
16 GNP 0.645833 0.86747
17 G2P 0.645833 0.857143
18 GSP 0.645833 0.847059
19 GMV 0.642105 0.890244
20 G G 0.640777 0.890244
21 GAV 0.632653 0.857143
22 G2R 0.613861 0.857143
23 GMP 0.593023 0.802469
24 GPG 0.592233 0.857143
25 G1R G1R 0.591667 0.869048
26 6CK 0.588785 0.903614
27 PGD O 0.586777 0.784946
28 GCP G 0.586538 0.8875
29 Y9Z 0.584906 0.808989
30 GKE 0.584906 0.857143
31 GDD 0.584906 0.857143
32 GDC 0.584906 0.857143
33 GTG 0.579439 0.858824
34 GDR 0.579439 0.857143
35 GFB 0.579439 0.857143
36 YGP 0.575472 0.827586
37 G3A 0.574074 0.86747
38 G5P 0.568807 0.86747
39 ALF ADP 0.565657 0.9125
40 ADP ALF 0.565657 0.9125
41 A G 0.564103 0.901235
42 GKD 0.563636 0.857143
43 JB2 0.563636 0.857143
44 U A G G 0.559322 0.901235
45 GDX 0.558559 0.86747
46 GPD 0.558559 0.827586
47 G A A A 0.550847 0.890244
48 G3D 0.54902 0.876543
49 FEG 0.543103 0.808989
50 G4P 0.538462 0.876543
51 ZGP 0.538462 0.8
52 3GP 0.536842 0.864198
53 JB3 0.534483 0.847059
54 NGD 0.529915 0.879518
55 0O2 0.518519 0.876543
56 U2G 0.516949 0.837209
57 2MD 0.516667 0.8
58 CAG 0.516393 0.811111
59 G U 0.512605 0.869048
60 CG2 0.508333 0.837209
61 G C 0.504132 0.869048
62 MGD 0.504065 0.8
63 MD1 0.5 0.8
64 DBG 0.492188 0.847059
65 2GP 0.489796 0.853659
66 PGD 0.488189 0.827586
67 TPG 0.48062 0.757895
68 FE9 0.480315 0.755102
69 GPX 0.477064 0.841463
70 DGI 0.471154 0.823529
71 G G G C 0.46875 0.858824
72 G G G RPC 0.467742 0.845238
73 A G C C 0.465116 0.879518
74 GH3 0.458716 0.865854
75 G4M 0.456522 0.791209
76 DG 0.455446 0.833333
77 DGP 0.455446 0.833333
78 BGO 0.455285 0.825581
79 DGT 0.453704 0.823529
80 APC G U 0.453125 0.855422
81 DG DG 0.451327 0.837209
82 G C C C 0.451128 0.869048
83 P2G 0.45098 0.807229
84 AKW 0.443548 0.818182
85 P1G 0.442308 0.797619
86 IDP 0.438095 0.864198
87 ADP PO3 0.438095 0.8375
88 GGM 0.433071 0.806818
89 A G U 0.432624 0.858824
90 IMP 0.431373 0.875
91 AF3 ADP 3PG 0.430894 0.902439
92 G1G 0.427481 0.848837
93 VO4 ADP 0.418182 0.829268
94 ADP VO4 0.418182 0.829268
95 A G U U 0.417808 0.858824
96 G U34 0.417323 0.858824
97 5GP 5GP 0.416667 0.851852
98 G7M 0.413462 0.890244
99 GPC 0.412214 0.872093
100 SGP 0.409524 0.758621
101 R7I 0.409091 0.841463
102 R5I 0.409091 0.841463
103 PCG 0.407407 0.851852
104 C2E 0.407407 0.841463
105 35G 0.407407 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3T12; Ligand: GDP ALF; Similar sites found with APoc: 99
This union binding pocket(no: 1) in the query (biounit: 3t12.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 3Q85 GNP 3.5503
2 5W76 GDP 5.55556
3 4RD0 GDP 5.55556
4 5GOE GDP 5.55556
5 3WYA GDP 5.88235
6 3WY9 GDP 5.88235
7 1TAD ALF 6.06061
8 1TAD GDP 6.06061
9 4DKX GDP 6.56566
10 3MD0 GDP 6.61765
11 5M04 GDP 8.08081
12 5FG3 GDP 8.08081
13 5W75 GDP 8.08823
14 3CX8 GSP 8.08823
15 3CNL GNP 9.09091
16 6G14 G4P 9.09091
17 1MKY GDP 10.101
18 2WJG GDP 10.1064
19 5W7Q GDP 10.2941
20 1YRB GDP 10.6061
21 4NCN GTP 10.6061
22 4R98 GNH 11.6162
23 4J0Q GDP 11.7647
24 3U6B GDP 11.7647
25 4P3Y GDP 11.7647
26 5JBQ GDP 11.7647
27 4G5G GDP 11.7647
28 2BVN GNP 11.7647
29 1D8T GDP 11.7647
30 3U6K GDP 11.7647
31 5H7J GCP 12.5
32 5H7K GDP 12.5
33 1WDT GTP 12.5
34 2WIC GNP 12.6263
35 2C77 GNP 15.1515
36 2C78 GNP 15.1515
37 3W5J GDP 15.1515
38 2RCN GDP 15.4412
39 1SKQ GDP 16.1616
40 1KK1 GNP 16.1616
41 3VMF GTP 17.1717
42 2XTZ GSP 17.6471
43 4B47 GDP 17.6768
44 2ODE ALF GDP 17.6768
45 1BH2 GSP 17.6768
46 1SVK ALF GDP 17.6768
47 5KDO GDP 17.6768
48 6AU6 GDP 19.1919
49 1CS4 GSP 19.1919
50 1FQJ ALF 20.5882
51 1FQK ALF 20.5882
52 1FQJ GDP 20.5882
53 3WYF GTP 23.2323
54 2HCJ GDP 24.3243
55 4KAX GTP 26.6272
56 5DI3 GNP 27.027
57 2W83 GTP 27.2727
58 2QTV GNP 28.1437
59 2J59 GTP 28.3133
60 1O3Y GTP 28.3133
61 1J2J GTP 28.3133
62 4HAT GNP 29.2929
63 5UWU GNP 29.2929
64 5UWQ GNP 29.2929
65 5UWO GNP 29.2929
66 3CH5 GDP 29.2929
67 5BXQ GDP 29.2929
68 4YLG GDP 29.4798
69 1WQ1 AF3 29.5181
70 1UPT GTP 29.8246
71 3AQ4 GDP 29.8913
72 2CJW GDP 30.2083
73 1MR3 G3D 30.3867
74 5EE5 GTP 30.4094
75 3GJ8 GDP 30.8081
76 3GJ5 GDP 30.8081
77 3GJ3 GDP 30.8081
78 3GJ7 GDP 30.8081
79 3GJ0 GDP 30.8081
80 3GJ4 GDP 30.8081
81 2A5F GTP 30.8571
82 5O74 GDP 31.6176
83 3WYG GTP 31.8681
84 3PCR GTP 32.0988
85 4ZI2 GNP 32.6316
86 1R4A GNP 32.7273
87 2HT6 GDP 32.7586
88 4GOJ GNP 32.8042
89 1RE0 GDP 32.9268
90 2QN6 GDP 33.3333
91 3N5C GDP 33.3333
92 5YT0 GDP 33.3333
93 1FZQ GDP 34.2541
94 3DOE GTP 36.4583
95 1KSH GDP 39.2473
96 1YZG GDP 39.6648
97 1F6B GDP 39.899
98 1VG1 GDP 40.5405
99 1ZJ6 G3D 40.6417
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