Receptor
PDB id Resolution Class Description Source Keywords
2GJ8 1.7 Å EC: 3.-.-.- STRUCTURE OF THE MNME G-DOMAIN IN COMPLEX WITH GDP*ALF4-, MG2+ AND K+ ESCHERICHIA COLI BL21(DE3) G-DOMAIN DIMER ALPHA-BETA-SANDWICH HYDROLASE
Ref.: DIMERISATION-DEPENDENT GTPASE REACTION OF MNME: HOW POTASSIUM ACTS AS GTPASE-ACTIVATING ELEMENT. EMBO J. V. 25 2940 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALF GDP A:601;
B:611;
C:621;
D:631;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 0.92 uM
543.152 n/a P(=O)...
K A:603;
B:613;
C:623;
D:633;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
39.098 K [K+]
MG A:602;
B:612;
C:622;
D:632;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
SE A:641;
C:643;
D:642;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
78.96 Se [SeH2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GJ8 1.7 Å EC: 3.-.-.- STRUCTURE OF THE MNME G-DOMAIN IN COMPLEX WITH GDP*ALF4-, MG2+ AND K+ ESCHERICHIA COLI BL21(DE3) G-DOMAIN DIMER ALPHA-BETA-SANDWICH HYDROLASE
Ref.: DIMERISATION-DEPENDENT GTPASE REACTION OF MNME: HOW POTASSIUM ACTS AS GTPASE-ACTIVATING ELEMENT. EMBO J. V. 25 2940 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 2GJ8 Kd = 0.92 uM ALF GDP n/a n/a
2 2GJ9 - ALF GDP n/a n/a
3 2GJA - ALF GDP n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2GJ8 Kd = 0.92 uM ALF GDP n/a n/a
2 2GJ9 - ALF GDP n/a n/a
3 2GJA - ALF GDP n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 2GJ8 Kd = 0.92 uM ALF GDP n/a n/a
2 2GJ9 - ALF GDP n/a n/a
3 2GJA - ALF GDP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALF GDP; 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 : 2GJ8; Ligand: ALF GDP; Similar sites found with APoc: 31
This union binding pocket(no: 1) in the query (biounit: 2gj8.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3N5C GDP None
2 1Z0A GDP None
3 1YRB GDP 1.74419
4 5W75 GDP 4.06977
5 4KAX GTP 4.34783
6 4J0Q GDP 4.65116
7 5W76 GDP 5.81395
8 2FH5 GTP 6.39535
9 3U6B GDP 6.97674
10 2BVN GNP 6.97674
11 5CK5 GDP 6.97674
12 1SKQ GDP 7.55814
13 4NCN GTP 8.13953
14 4TMZ GSP 8.13953
15 5H7J GCP 8.72093
16 5H7K GDP 8.72093
17 3Q72 GNP 10.8434
18 4PC3 GDP 16.8605
19 1KK1 GNP 19.7674
20 3GJ7 GDP 29.0698
21 3GJ4 GDP 29.0698
22 3GJ5 GDP 29.0698
23 1S8F GDP 30.814
24 4DCT GDP 31.9767
25 1FZQ GDP 34.3023
26 4GOJ GNP 34.3023
27 4ZI2 GNP 34.3023
28 4D0G GTP 36.0465
29 5TB5 GDP 37.8378
30 1VG1 GDP 38.3721
31 5DI3 GNP 40.1163
Pocket No.: 2; Query (leader) PDB : 2GJ8; Ligand: ALF GDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2gj8.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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