Receptor
PDB id Resolution Class Description Source Keywords
1WF3 1.88 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF GTP-BINDING PROTEIN TT1341 FROM THERMUS THERMOPHILUS HB8 THERMUS THERMOPHILUS GTP-BINDING PROTEIN GTPASE RIKEN STRUCTURAL GENOMICS/PROTEINITIATIVE RSGI STRUCTURAL GENOMICS HYDROLASE
Ref.: CRYSTAL STRUCTURE OF GTP-BINDING PROTEIN TT1341 FRO THERMOPHILUS HB8 TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GNP A:501;
Valid;
none;
submit data
522.196 C10 H17 N6 O13 P3 c1nc2...
GOL A:601;
A:602;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:401;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WF3 1.88 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF GTP-BINDING PROTEIN TT1341 FROM THERMUS THERMOPHILUS HB8 THERMUS THERMOPHILUS GTP-BINDING PROTEIN GTPASE RIKEN STRUCTURAL GENOMICS/PROTEINITIATIVE RSGI STRUCTURAL GENOMICS HYDROLASE
Ref.: CRYSTAL STRUCTURE OF GTP-BINDING PROTEIN TT1341 FRO THERMOPHILUS HB8 TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 283 families.
1 1WF3 - 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 235 families.
1 1WF3 - 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 193 families.
1 1WF3 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GNP; Similar ligands found: 137
No: Ligand ECFP6 Tc MDL keys Tc
1 9GM 1 1
2 GNP 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 GCP 0.77907 0.948718
8 G1R 0.77907 0.961039
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 GDD 0.690722 0.936709
19 GKE 0.690722 0.936709
20 GDC 0.690722 0.936709
21 G5P 0.686869 0.948718
22 GPG 0.684211 0.936709
23 GFB 0.683673 0.936709
24 GDR 0.683673 0.936709
25 GTG 0.683673 0.91358
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 GDP AF3 0.645833 0.86747
35 GDP ALF 0.645833 0.86747
36 ALF GDP 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 KB7 0.612903 0.807229
46 2MD 0.603604 0.870588
47 CAG 0.60177 0.904762
48 FEG 0.590909 0.858824
49 U2G 0.590909 0.91358
50 GDP 7MG 0.590476 0.888889
51 MGD 0.587719 0.870588
52 G G 0.586538 0.924051
53 ZGP 0.585586 0.848837
54 CG2 0.580357 0.91358
55 KBD 0.568627 0.807229
56 ANP 0.568421 0.922078
57 PGD 0.567797 0.902439
58 MD1 0.567797 0.870588
59 3GP 0.56044 0.922078
60 TPG 0.558333 0.822222
61 GH3 0.55 0.948052
62 KBJ 0.54717 0.77907
63 FE9 0.546219 0.778947
64 GPX 0.539216 0.922078
65 G4M 0.539062 0.860465
66 DGI 0.536082 0.9
67 BGO 0.535088 0.901235
68 IDP 0.53125 0.947368
69 DGT 0.53 0.9
70 2GP 0.526882 0.935065
71 G1R G1R 0.520325 0.901235
72 GCP G 0.518868 0.897436
73 A G 0.516949 0.911392
74 U A G G 0.512605 0.911392
75 AGO 0.504202 0.91358
76 G A A A 0.504202 0.9
77 G1G 0.5 0.902439
78 P2G 0.5 0.860759
79 R7I 0.49505 0.922078
80 R5I 0.49505 0.922078
81 MGP 0.49505 0.936709
82 PGD O 0.492063 0.831461
83 6G0 0.490196 0.936709
84 P1G 0.489796 0.85
85 AKW 0.483051 0.869048
86 DG 0.474227 0.8875
87 DGP 0.474227 0.8875
88 G U 0.466667 0.878049
89 IMP 0.463918 0.934211
90 G2Q 0.462963 0.936709
91 GPC 0.459677 0.858824
92 G C 0.459016 0.878049
93 GTA 0.448276 0.91358
94 G7M 0.444444 0.924051
95 MAP 0.439252 0.898734
96 G G G RPC 0.435484 0.853659
97 ADP 0.434343 0.896104
98 AP5 0.434343 0.871795
99 B4P 0.434343 0.871795
100 A2D 0.43299 0.871795
101 AT4 0.43 0.8625
102 G G G C 0.426357 0.890244
103 AU1 0.425743 0.922078
104 SGP 0.425743 0.807229
105 BA3 0.424242 0.871795
106 C2E 0.423077 0.897436
107 35G 0.423077 0.909091
108 PCG 0.423077 0.909091
109 A G C C 0.423077 0.888889
110 APC G U 0.421875 0.864198
111 HEJ 0.421569 0.896104
112 ATP 0.421569 0.896104
113 5GP 5GP 0.419048 0.860759
114 ACQ 0.419048 0.873418
115 AQP 0.417476 0.896104
116 5FA 0.417476 0.896104
117 01G 0.417391 0.880952
118 AN2 0.415842 0.909091
119 UNP 0.415842 0.810127
120 6AD 0.415094 0.821429
121 M33 0.411765 0.860759
122 ITT 0.411765 0.846154
123 G C C C 0.410448 0.901235
124 JSQ 0.409524 0.851852
125 HFD 0.409524 0.851852
126 G U34 0.408 0.86747
127 ACP 0.407767 0.873418
128 KG4 0.407767 0.873418
129 6YZ 0.407407 0.873418
130 APR 0.403846 0.871795
131 AR6 0.403846 0.871795
132 DG DG 0.403509 0.845238
133 A4P 0.403226 0.848837
134 UCG 0.402985 0.888889
135 AGS 0.4 0.851852
136 SAP 0.4 0.851852
137 AD9 0.4 0.873418
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WF3; Ligand: GNP; Similar sites found with APoc: 86
This union binding pocket(no: 1) in the query (biounit: 1wf3.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4J0Q GDP 1.99336
2 4J0Q GDP 1.99336
3 4J0Q GDP 1.99336
4 5CK5 GDP 2.65781
5 5CK5 GDP 2.65781
6 5CK5 GDP 2.65781
7 5W7Q GDP 2.99003
8 2C77 GNP 3.32226
9 5W75 GDP 4.31894
10 5W76 GDP 4.31894
11 5W75 GDP 4.31894
12 1I4D GDP 4.6875
13 1YRB GDP 4.96183
14 3WY9 GDP 4.98339
15 5O74 GDP 5
16 5O74 GDP 5
17 5O74 GDP 5
18 3U6B GDP 5.58376
19 4P3Y GDP 5.58376
20 3U6K GDP 5.58376
21 2BVN GNP 5.59796
22 6A8D GDP 5.72917
23 3GJ5 GDP 5.88235
24 3GJ7 GDP 5.88235
25 3GJ3 GDP 5.88235
26 3GJ4 GDP 5.88235
27 3GJ5 GDP 5.88235
28 1SKQ GDP 5.98007
29 1SKQ GDP 5.98007
30 6J72 GTP 5.98007
31 3CH5 GDP 6.01852
32 1DS6 GDP 6.11111
33 1ZJ6 G3D 8.02139
34 4KAX GTP 8.87574
35 4ZI2 GNP 8.94737
36 4GOJ GNP 8.99471
37 4GOJ GNP 8.99471
38 2J59 GTP 9.03614
39 2J59 GTP 9.03614
40 2J59 GTP 9.03614
41 2J59 GTP 9.03614
42 1S8F GDP 9.03955
43 1S8F GDP 9.03955
44 1RE0 GDP 9.14634
45 3N5C GDP 9.25926
46 1FZQ GDP 9.39227
47 4DKX GDP 11.1111
48 5YT0 GDP 11.2957
49 5FG3 GDP 11.2957
50 3CNL GNP 11.8321
51 2EW1 GNP 12.9353
52 2X77 GDP 13.2275
53 2X77 GDP 13.2275
54 1KK1 GNP 14.6179
55 2FH5 GTP 15.4206
56 2WIC GNP 15.7303
57 2WJG GDP 15.9574
58 3W5J GDP 17.1569
59 4TMZ GSP 17.9402
60 4TMZ GSP 17.9402
61 4NCN GTP 17.9402
62 4NCN GTP 17.9402
63 3DEF GDP 18.3206
64 4DCT GDP 20.598
65 4DCT GDP 20.598
66 5H7J GCP 21.2625
67 5H7K GDP 21.2625
68 1UPT GTP 21.6667
69 4M9Q GNP 24.2291
70 4M9Q GNP 24.2291
71 1Z0A GDP 25.2874
72 1Z0A GDP 25.2874
73 1Z0A GDP 25.2874
74 1Z0A GDP 25.2874
75 5DI3 GNP 27.5676
76 5DI3 GNP 27.5676
77 2QN6 GDP 27.7778
78 1F6B GDP 27.7778
79 1F6B GDP 27.7778
80 1Z06 GNP 28.0423
81 1VG1 GDP 28.6486
82 1VG9 GDP 28.6486
83 3Q72 GNP 30.7229
84 2HT6 GDP 31.0345
85 3PQC GDP 33.8462
86 3PQC GDP 33.8462
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