Receptor
PDB id Resolution Class Description Source Keywords
1NF3 2.1 Å EC: 3.-.-.- STRUCTURE OF CDC42 IN A COMPLEX WITH THE GTPASE-BINDING DOMAIN OF THE CELL POLARITY PROTEIN, PAR6 HOMO SAPIENS SEMI-CRIB MOTIF SWITCH I AND II PDZ DOMAIN GTPASE BINDING DOMAIN SIGNALING PROTEIN
Ref.: STRUCTURE OF CDC42 IN A COMPLEX WITH THE GTPASE-BINDING DOMAIN OF THE CELL POLARITY PROTEIN, PAR6 EMBO J. V. 22 1125 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GNP A:200;
B:202;
Valid;
Valid;
none;
none;
Kd = 50 nM
522.196 C10 H17 N6 O13 P3 c1nc2...
MG A:201;
B:203;
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
1NF3 2.1 Å EC: 3.-.-.- STRUCTURE OF CDC42 IN A COMPLEX WITH THE GTPASE-BINDING DOMAIN OF THE CELL POLARITY PROTEIN, PAR6 HOMO SAPIENS SEMI-CRIB MOTIF SWITCH I AND II PDZ DOMAIN GTPASE BINDING DOMAIN SIGNALING PROTEIN
Ref.: STRUCTURE OF CDC42 IN A COMPLEX WITH THE GTPASE-BINDING DOMAIN OF THE CELL POLARITY PROTEIN, PAR6 EMBO J. V. 22 1125 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 1NF3 Kd = 50 nM 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 209 families.
1 1NF3 Kd = 50 nM 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 173 families.
1 1NF3 Kd = 50 nM 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 : 1NF3; Ligand: GNP; Similar sites found with APoc: 79
This union binding pocket(no: 1) in the query (biounit: 1nf3.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1TU3 GNP None
2 1R2Q GNP None
3 2FH5 GTP 5.12821
4 4RD0 GDP 7.8125
5 2BVN GNP 10.2564
6 3U6B GDP 10.2564
7 2QN6 GDP 11.828
8 4DCT GDP 12.8205
9 5YT0 GDP 14.359
10 5FG3 GDP 14.8718
11 1YRB GDP 15.3846
12 3WY9 GDP 18.75
13 4NCN GTP 27.1795
14 4TMZ GSP 27.1795
15 3Q72 GNP 29.5181
16 3GJ4 GDP 33.8462
17 3GJ7 GDP 33.8462
18 3GJ5 GDP 33.8462
19 3E5H GNP 34.2697
20 5DIF GNP 34.359
21 5UWI GNP 34.359
22 5UWP GNP 34.359
23 5DHF GNP 34.359
24 5UWQ GNP 34.359
25 5UWO GNP 34.359
26 5UWW GNP 34.359
27 5UWT GNP 34.359
28 6CIT GNP 34.359
29 4HAT GNP 34.359
30 5UWS GNP 34.359
31 5UWR GNP 34.359
32 5UWH GNP 34.359
33 5UWJ GNP 34.359
34 5DI9 GNP 34.359
35 1VG8 GNP 34.359
36 1VG0 GDP 34.359
37 4LX0 BEF GDP 34.4633
38 3GJX GTP 34.8718
39 3M1I GTP 35.3846
40 3WYF GTP 35.3846
41 1VG1 GDP 36.2162
42 1Z06 GNP 36.5079
43 3WYG GTP 37.9121
44 1WA5 GTP 38.0682
45 5UWU GNP 40
46 3BC1 GNP 40
47 1OIX GDP 40.8377
48 3TKL GTP 41.5385
49 2HT6 GDP 42.5287
50 5SZH GNP 42.5641
51 2EW1 GNP 42.5641
52 1Z0A GDP 43.1034
53 2BME GNP 43.5484
54 3MJH GTP 44.0476
55 1Z0K GTP 44.186
56 5OCG GNP 44.4444
57 5TB5 GDP 45.4054
58 1UAD GNP 45.7143
59 4DKX GDP 46.1538
60 1ZC3 GNP 46.2857
61 4KVG GTP 47.0238
62 1YZN GNP 47.027
63 4HDO GNP 47.3054
64 1GUA GNP 47.3054
65 3X1Z GNP 47.3054
66 4HDQ GNP 47.3054
67 1YVD GNP 47.3373
68 2C5L GTP 47.3988
69 3NKV GNP 47.4286
70 1Z0J GTP 47.6471
71 1EK0 GNP 47.6471
72 5WDR GNP 47.9532
73 2Y8E GNP 48.0447
74 3QBT GNP 48.8506
75 4LHW GNP 48.8506
76 3TNF GNP 48.8506
77 5O2T GSP 49.1124
78 2UZI GTP 49.3976
79 5LEF GTP 49.7382
80 3DDC GNP 50
Pocket No.: 2; Query (leader) PDB : 1NF3; 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: 2) in the query (biounit: 1nf3.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1NF3; 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: 1nf3.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1NF3; 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: 4) in the query (biounit: 1nf3.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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