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Receptor
PDB id Resolution Class Description Source Keywords
1RA7 2.35 Å EC: 2.7.7.48 POLIOVIRUS POLYMERASE WITH GTP HUMAN POLIOVIRUS 1 NUCLEOTIDYLTRANSFERASE POLIOVIRUS 3D RNA-DEPENDENT POLYMTERMINUS GTP TRANSFERASE
Ref.: STRUCTURAL BASIS FOR PROTEOLYSIS-DEPENDENT ACTIVATI POLIOVIRUS RNA-DEPENDENT RNA POLYMERASE. EMBO J. V. 23 3462 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:901;
A:902;
A:903;
A:904;
A:905;
A:906;
A:907;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
60.052 C2 H4 O2 CC(=O...
GTP A:1001;
Valid;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ILZ 2.5 Å EC: 2.7.7.48 CRYSTAL STRUCTURE OF POLIOVIRUS POLYMERASE COMPLEXED WITH GT HUMAN POLIOVIRUS 1 NUCLEOTIDYLTRANSFERASE POLIOVIRUS 3D RNA-DEPENDENT POLYMGTP STABILIZATION TRANSFERASE
Ref.: STABILIZATION OF POLIOVIRUS POLYMERASE BY NTP BINDI FINGERS-THUMB INTERACTIONS. J.MOL.BIOL. V. 366 1459 2007
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 2IM2 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
2 2IM1 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
3 1RA7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 2ILZ Kd = 4 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 2IM0 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2IM2 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
2 2IM1 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
3 1RA7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 2ILZ Kd = 4 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 2IM0 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
6 3N6M - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4WYW - 3PO H5 O10 P3 OP(=O)(O)O....
2 2IM2 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
3 2IM1 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
4 1RA7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 2ILZ Kd = 4 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
6 2IM0 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
7 3N6M - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTP; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 GTP 1 1
2 GP3 0.921053 0.973684
3 GDP 0.909091 1
4 GSP 0.853659 0.948718
5 GNH 0.82716 0.986667
6 G1R 0.819277 0.986667
7 GAV 0.811765 0.961039
8 9GM 0.809524 0.973684
9 GNP 0.809524 0.973684
10 GCP 0.797619 0.973684
11 5GP 0.797468 0.986486
12 G 0.797468 0.986486
13 GMV 0.764706 0.973684
14 G2R 0.764045 0.961039
15 G5P 0.755319 0.973684
16 GTG 0.752688 0.936709
17 G2P 0.747126 0.961039
18 G3A 0.744681 0.973684
19 GDD 0.741935 0.961039
20 GDC 0.741935 0.961039
21 GKE 0.741935 0.961039
22 0O2 0.736264 0.986486
23 GP2 0.729412 0.961039
24 6CK 0.726316 0.936709
25 Y9Z 0.723404 0.902439
26 GPG 0.717391 0.961039
27 GFB 0.715789 0.961039
28 GDR 0.715789 0.961039
29 GPD 0.704082 0.925
30 GKD 0.693878 0.961039
31 JB2 0.693878 0.961039
32 GDX 0.686869 0.973684
33 ALF 5GP 0.685393 0.888889
34 GH3 0.681319 0.973333
35 YGP 0.677083 0.901235
36 G3D 0.67033 0.986486
37 GDP AF3 0.659574 0.888889
38 ALF GDP 0.659574 0.888889
39 GDP ALF 0.659574 0.888889
40 DGT 0.659341 0.923077
41 GMP 0.658228 0.88
42 G4P 0.655914 0.986486
43 JB3 0.653846 0.948718
44 NGD 0.647619 0.961039
45 CAG 0.642202 0.880952
46 2MD 0.62963 0.891566
47 MGP 0.619565 0.961039
48 U2G 0.616822 0.936709
49 6G0 0.612903 0.961039
50 MGD 0.612613 0.891566
51 TPG 0.608696 0.840909
52 CG2 0.605505 0.936709
53 GDP 7MG 0.601942 0.911392
54 FEG 0.601852 0.879518
55 G G 0.598039 0.948052
56 ZGP 0.59633 0.869048
57 PGD 0.591304 0.925
58 MD1 0.591304 0.891566
59 3GP 0.590909 0.946667
60 GPX 0.581633 0.946667
61 DGI 0.580645 0.923077
62 IDP 0.576087 0.972973
63 DBG 0.567797 0.948718
64 2GP 0.555556 0.96
65 FE9 0.555556 0.776596
66 G4M 0.547619 0.880952
67 BGO 0.544643 0.924051
68 GCP G 0.543689 0.921053
69 ATP 0.537634 0.92
70 HEJ 0.537634 0.92
71 G1G 0.533898 0.925
72 AQP 0.531915 0.92
73 5FA 0.531915 0.92
74 A G 0.525862 0.935065
75 G A A A 0.525862 0.923077
76 U A G G 0.521368 0.935065
77 HFD 0.520833 0.873418
78 R5I 0.520408 0.946667
79 R7I 0.520408 0.946667
80 01G 0.518868 0.902439
81 P2G 0.510638 0.883117
82 ITT 0.510638 0.868421
83 AKW 0.504348 0.890244
84 GGM 0.504274 0.901235
85 G1R G1R 0.504065 0.924051
86 DGP 0.5 0.910256
87 PGD O 0.5 0.850575
88 MGO 0.5 0.864198
89 DG 0.5 0.910256
90 P1G 0.5 0.871795
91 GTA 0.495495 0.936709
92 PRT 0.490741 0.959459
93 B4P 0.489362 0.894737
94 AP5 0.489362 0.894737
95 IMP 0.489362 0.959459
96 G U 0.487179 0.9
97 7DT 0.484536 0.906667
98 GPC 0.479339 0.879518
99 G C 0.478992 0.9
100 BA3 0.478723 0.894737
101 ADP 0.473684 0.92
102 G2Q 0.471698 0.961039
103 6YZ 0.470588 0.896104
104 G7M 0.46875 0.948052
105 C1Z 0.462963 0.986486
106 25L 0.458716 0.907895
107 A2D 0.457447 0.894737
108 RGT 0.45045 0.909091
109 AGS 0.45 0.873418
110 SAP 0.45 0.873418
111 SGP 0.44898 0.82716
112 A4P 0.445378 0.869048
113 G G G RPC 0.442623 0.875
114 ANP 0.441176 0.896104
115 ACQ 0.441176 0.896104
116 8GT 0.441176 0.875
117 APC G U 0.44 0.886076
118 AT4 0.438776 0.884615
119 G U34 0.438017 0.888889
120 6AD 0.436893 0.841463
121 G G G C 0.433071 0.9125
122 UP5 0.432203 0.873418
123 PCG 0.431373 0.933333
124 C2E 0.431373 0.921053
125 35G 0.431373 0.933333
126 A G C C 0.429688 0.911392
127 T99 0.427184 0.884615
128 5GP 5GP 0.427184 0.883117
129 TAT 0.427184 0.884615
130 AR6 0.425743 0.894737
131 APR 0.425743 0.894737
132 7DD 0.424242 0.906667
133 AN2 0.424242 0.907895
134 DG DG 0.423423 0.865854
135 AD9 0.421569 0.896104
136 M33 0.42 0.883117
137 7D4 0.42 0.835443
138 UCG 0.419847 0.911392
139 HDV 0.419048 0.825
140 H6Y 0.419048 0.946667
141 G C C C 0.416667 0.924051
142 ACP 0.415842 0.896104
143 T5A 0.414634 0.802326
144 A1R 0.412844 0.839506
145 ADQ 0.412844 0.871795
146 MGQ 0.412844 0.935897
147 A3R 0.412844 0.839506
148 MGT 0.411215 0.823529
149 A G U 0.410072 0.888889
150 93A 0.41 0.833333
151 A22 0.407407 0.907895
152 CA0 0.405941 0.896104
153 ATF 0.40566 0.884615
154 AGO 0.404762 0.888889
155 MGV 0.401786 0.890244
156 CGP 0.4 0.86747
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ILZ; Ligand: GTP; Similar sites found with APoc: 17
This union binding pocket(no: 1) in the query (biounit: 2ilz.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2IMW DDS 1.14943
2 1W55 GPP 2.69542
3 1BKJ FMN 3.33333
4 5GLN XYS 3.77907
5 4G86 BNT 3.87324
6 5YGF ASP GLN GLY ARG GLY ARG ARG ARG PRO 4.03587
7 1BZY IMU 4.14747
8 2PQ9 GG9 4.33839
9 6HQD SRT 4.7619
10 4UTG ANP 4.91329
11 4U9U FAD 6.04982
12 2JK0 ASP 6.46154
13 3H4L ANP 6.53951
14 4CNG SAH 12.1569
15 2X3F APC 14.386
16 2HF9 GSP 16.8142
17 3UR0 SVR 30.3688
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