Receptor
PDB id Resolution Class Description Source Keywords
1TQ4 1.95 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF IIGP1: A PARADIGM FOR INTERFERON INDUCIBLE P47 RESISTANCE GTPASES MUS MUSCULUS GTPASE INTERFERON GAMMA CRYSTAL STRUCTURE DIMER IMMUNOLOGY SIGNALING PROTEIN
Ref.: CRYSTAL STRUCTURE OF IIGP1; A PARADIGM FOR INTERFERON-INDUCIBLE P47 RESISTANCE GTPASES MOL.CELL V. 15 727 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP A:500;
Valid;
none;
Kd = 0.64 uM
443.201 C10 H15 N5 O11 P2 c1nc2...
MG A:501;
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
1TQ4 1.95 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF IIGP1: A PARADIGM FOR INTERFERON INDUCIBLE P47 RESISTANCE GTPASES MUS MUSCULUS GTPASE INTERFERON GAMMA CRYSTAL STRUCTURE DIMER IMMUNOLOGY SIGNALING PROTEIN
Ref.: CRYSTAL STRUCTURE OF IIGP1; A PARADIGM FOR INTERFERON-INDUCIBLE P47 RESISTANCE GTPASES MOL.CELL V. 15 727 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 1TPZ Kd = 0.64 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1TQ4 Kd = 0.64 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 1TPZ Kd = 0.64 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1TQ4 Kd = 0.64 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 1TPZ Kd = 0.64 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1TQ4 Kd = 0.64 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP; Similar ligands found: 161
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP 1 1
2 GTP 0.909091 1
3 GP3 0.881579 0.973684
4 GNH 0.858974 0.986667
5 9GM 0.839506 0.973684
6 GNP 0.839506 0.973684
7 G 0.828947 0.986486
8 5GP 0.828947 0.986486
9 G1R 0.82716 0.986667
10 GCP 0.82716 0.973684
11 GSP 0.817073 0.948718
12 GAV 0.797619 0.961039
13 GMV 0.792683 0.973684
14 G2P 0.77381 0.961039
15 G2R 0.770115 0.961039
16 GP2 0.756098 0.961039
17 GDC 0.747253 0.961039
18 GKE 0.747253 0.961039
19 GDD 0.747253 0.961039
20 GPG 0.741573 0.961039
21 G3D 0.732558 0.986486
22 ALF 5GP 0.729412 0.888889
23 Y9Z 0.728261 0.902439
24 G5P 0.723404 0.973684
25 GFB 0.72043 0.961039
26 GTG 0.72043 0.936709
27 GDR 0.72043 0.961039
28 G4P 0.715909 0.986486
29 G3A 0.712766 0.973684
30 6CK 0.712766 0.936709
31 GDP AF3 0.7 0.888889
32 ALF GDP 0.7 0.888889
33 GDP ALF 0.7 0.888889
34 YGP 0.698925 0.901235
35 GKD 0.697917 0.961039
36 JB2 0.697917 0.961039
37 GDX 0.690722 0.973684
38 GPD 0.690722 0.925
39 GMP 0.684211 0.88
40 0O2 0.666667 0.986486
41 JB3 0.656863 0.948718
42 NGD 0.650485 0.961039
43 DGI 0.636364 0.923077
44 GDP 7MG 0.636364 0.911392
45 U2G 0.634615 0.936709
46 GPX 0.634409 0.946667
47 G G 0.632653 0.948052
48 IDP 0.632184 0.972973
49 2MD 0.632075 0.891566
50 CAG 0.62963 0.880952
51 CG2 0.622642 0.936709
52 FEG 0.619048 0.879518
53 MGD 0.614679 0.891566
54 ZGP 0.613208 0.869048
55 GH3 0.612903 0.973333
56 3GP 0.611765 0.946667
57 MD1 0.607143 0.891566
58 PGD 0.59292 0.925
59 DGT 0.591398 0.923077
60 BGO 0.588785 0.924051
61 TPG 0.582609 0.840909
62 DBG 0.582609 0.948718
63 2GP 0.574713 0.96
64 FE9 0.570175 0.776596
65 GCP G 0.56 0.921053
66 A G 0.553571 0.935065
67 G A A A 0.553571 0.923077
68 MGP 0.553191 0.961039
69 U A G G 0.548673 0.935065
70 G4M 0.548387 0.880952
71 6G0 0.547368 0.961039
72 G1R G1R 0.542373 0.924051
73 P2G 0.527473 0.883117
74 PGD O 0.525 0.850575
75 ADP 0.522222 0.92
76 R5I 0.520833 0.946667
77 R7I 0.520833 0.946667
78 GGM 0.517544 0.901235
79 DGP 0.516484 0.910256
80 DG 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G U 0.513274 0.9
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 AKW 0.504425 0.890244
86 G C 0.504348 0.9
87 GPC 0.491525 0.879518
88 G7M 0.483871 0.948052
89 6AD 0.479592 0.841463
90 ATP 0.473684 0.92
91 HEJ 0.473684 0.92
92 G2Q 0.471154 0.961039
93 5FA 0.46875 0.92
94 AQP 0.46875 0.92
95 GTA 0.468468 0.936709
96 7DD 0.468085 0.906667
97 G G G RPC 0.466102 0.875
98 SGP 0.463158 0.82716
99 01G 0.462963 0.902439
100 HFD 0.459184 0.873418
101 B4P 0.457447 0.894737
102 AP5 0.457447 0.894737
103 A2D 0.456522 0.894737
104 6YZ 0.455446 0.896104
105 G G G C 0.455285 0.9125
106 5GP 5GP 0.454545 0.883117
107 ANP 0.454545 0.896104
108 ACQ 0.454545 0.896104
109 AT4 0.452632 0.884615
110 A G C C 0.451613 0.911392
111 APC G U 0.45082 0.886076
112 PRT 0.449541 0.959459
113 G U34 0.449153 0.888889
114 DG DG 0.448598 0.865854
115 ITT 0.447917 0.868421
116 BA3 0.446809 0.894737
117 C2E 0.444444 0.921053
118 PCG 0.444444 0.933333
119 35G 0.444444 0.933333
120 MGO 0.441176 0.864198
121 AN2 0.4375 0.907895
122 G C C C 0.4375 0.924051
123 M33 0.43299 0.883117
124 UCG 0.429688 0.911392
125 A G U 0.42963 0.888889
126 ACP 0.428571 0.896104
127 MGQ 0.424528 0.935897
128 AR6 0.424242 0.894737
129 7DT 0.424242 0.906667
130 APR 0.424242 0.894737
131 93A 0.42268 0.833333
132 A4P 0.420168 0.869048
133 G8D 0.42 0.875
134 AD9 0.42 0.896104
135 SAP 0.42 0.873418
136 AGS 0.42 0.873418
137 CA0 0.418367 0.896104
138 ATF 0.417476 0.884615
139 AGO 0.414634 0.888889
140 A G U U 0.414286 0.888889
141 NIA 0.413043 0.82716
142 MGV 0.412844 0.890244
143 TAT 0.411765 0.884615
144 T99 0.411765 0.884615
145 ADQ 0.411215 0.871795
146 A1R 0.411215 0.839506
147 RGT 0.410714 0.909091
148 CGP 0.409836 0.86747
149 C1Z 0.409091 0.986486
150 A 0.408602 0.893333
151 AMP 0.408602 0.893333
152 UP5 0.40678 0.873418
153 AMZ 0.406593 0.918919
154 C2R 0.406593 0.906667
155 JBT 0.405882 0.778947
156 A22 0.40566 0.907895
157 25L 0.405405 0.907895
158 ADX 0.40404 0.809524
159 8OD 0.401961 0.946667
160 50T 0.4 0.883117
161 4TC 0.4 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TQ4; Ligand: GDP; Similar sites found with APoc: 75
This union binding pocket(no: 1) in the query (biounit: 1tq4.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5FG3 GDP 1.93705
2 3COB ADP 2.16802
3 5YT0 GDP 2.1978
4 2RCN GDP 2.23464
5 5W75 GDP 2.29592
6 5W76 GDP 2.5974
7 4DCT GDP 2.66344
8 5W7Q GDP 2.68097
9 3AQ4 GDP 2.71739
10 3N5C GDP 3.08642
11 3MD0 GDP 3.09859
12 3A1S GDP 3.10078
13 4DKX GDP 3.24074
14 5M04 GDP 3.33333
15 3WYA GDP 3.38983
16 6G14 G4P 3.40136
17 1MKY GDP 3.87409
18 1KK1 GNP 3.90244
19 5GOE GDP 4.11622
20 1YRB GDP 4.19847
21 3Q72 GNP 4.21687
22 2VVG ADP 4.28571
23 1MR3 G3D 4.41989
24 5CK5 GDP 4.43038
25 1BG2 ADP 4.61538
26 4LC1 GDP 4.74777
27 1SKQ GDP 4.84262
28 1T5C ADP 5.15759
29 1Z0A GDP 5.17241
30 2WJG GDP 5.31915
31 3CNL GNP 5.72519
32 1VG0 GDP 5.7971
33 4J0Q GDP 6.05327
34 3U6B GDP 6.05327
35 4G5G GDP 6.05327
36 1D8T GDP 6.05327
37 5JBQ GDP 6.05327
38 3U6K GDP 6.05327
39 1YZG GDP 6.14525
40 1VG1 GDP 6.48649
41 1VG9 GDP 6.48649
42 2A5J GDP 6.80628
43 2AWN ADP 6.82415
44 5O74 GDP 7.1066
45 4B47 GDP 7.16253
46 1FZQ GDP 7.18232
47 1DS6 GDP 7.29167
48 3H4S ADP 7.40741
49 4P3Y GDP 7.69231
50 1RE0 GDP 7.92683
51 5HCN GCP 8.04598
52 3Q85 GNP 8.28402
53 2X77 GDP 8.99471
54 1GOJ ADP 9.01408
55 1S8F GDP 9.03955
56 5KUT GDP 10.582
57 2QN6 GDP 10.7527
58 2CJW GDP 10.9375
59 4D0N GDP 11.8919
60 2HT6 GDP 12.069
61 1I4D GDP 12.5
62 3PQC GDP 12.8205
63 2KIN ADP 13
64 1ZJ6 G3D 13.369
65 3GJ0 GDP 13.5747
66 3GJ7 GDP 13.5747
67 3GJ3 GDP 13.5747
68 3GJ4 GDP 13.5747
69 3GJ5 GDP 13.5747
70 3GJ8 GDP 13.5747
71 5BXQ GDP 13.8889
72 3T5G GDP 15.1316
73 3CH5 GDP 19.2308
74 3WY9 GDP 31.25
75 2HCJ GDP 35.1351
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