Receptor
PDB id Resolution Class Description Source Keywords
4XOI 2.09 Å NON-ENZYME: OTHER STRUCTURE OF HSANILLIN BOUND WITH RHOA(Q63L) AT 2.1 ANGSTROM RESOLUTION HOMO SAPIENS RHOA-ANILLIN COMPLEX CELL CYCLE
Ref.: MECHANISTIC INSIGHTS INTO THE ANCHORAGE OF THE CONT RING BY ANILLIN AND MID1 DEV.CELL V. 33 413 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:501;
C:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
GTP A:500;
C:500;
Valid;
Valid;
none;
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
4XOI 2.09 Å NON-ENZYME: OTHER STRUCTURE OF HSANILLIN BOUND WITH RHOA(Q63L) AT 2.1 ANGSTROM RESOLUTION HOMO SAPIENS RHOA-ANILLIN COMPLEX CELL CYCLE
Ref.: MECHANISTIC INSIGHTS INTO THE ANCHORAGE OF THE CONT RING BY ANILLIN AND MID1 DEV.CELL V. 33 413 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4XOI - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5M70 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 5M6X - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 1OW3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 4XSG - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
5 3LXR - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 3LWN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 3LW8 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 4XOI - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
9 6BCA - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
10 5IRC - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
11 5HPY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
12 6BC0 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
13 2GCO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
14 1CXZ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
15 4D0N - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1HE1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 5M70 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 5M6X - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 1OW3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 2WMO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
6 2WMN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 2NGR - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 4XSG - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
9 3LXR - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 3LWN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
11 3LW8 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
12 4XOI - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 6BCA - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
14 1E96 Kd = 2.7 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
15 5IRC - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 5HPY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 6BC0 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
18 2GCO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
19 1CXZ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
20 4YC7 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
21 4D0N - GDP C10 H15 N5 O11 P2 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 : 4XOI; Ligand: GTP; Similar sites found with APoc: 68
This union binding pocket(no: 1) in the query (biounit: 4xoi.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2BVN GNP 3.88889
2 2FH5 GTP 4.6729
3 2C77 GNP 5
4 4M9Q GNP 5.55556
5 1YRB GDP 7.22222
6 4RD0 GDP 8.33333
7 5YT0 GDP 15
8 5FG3 GDP 15
9 2QN6 GDP 15.0538
10 4NCN GTP 25.5556
11 1FQK ALF 26.6667
12 1UPT GTP 26.6667
13 1FQJ ALF 26.6667
14 5KSP GDP 28.3333
15 5XC5 GTP 34.0909
16 3GJ7 GDP 35.5556
17 5UWQ GNP 36.1111
18 5DIF GNP 36.1111
19 5UWW GNP 36.1111
20 5UWP GNP 36.1111
21 5UWU GNP 36.1111
22 4HAT GNP 36.1111
23 5UWO GNP 36.1111
24 5UWT GNP 36.1111
25 3M1I GTP 36.1111
26 6CIT GNP 36.1111
27 5DHF GNP 36.1111
28 5UWH GNP 36.1111
29 5UWS GNP 36.1111
30 5UWI GNP 36.1111
31 5UWR GNP 36.1111
32 5UWJ GNP 36.1111
33 1IBR GNP 36.1111
34 5DI9 GNP 36.1111
35 5BXQ GDP 36.1111
36 1J2J GTP 36.747
37 1WA5 GTP 36.9318
38 2G77 GDP 39.4444
39 1Z06 GNP 40
40 3Q72 GNP 41.5663
41 3BC1 GNP 43.3333
42 2HT6 GDP 43.6782
43 1YZN GNP 43.8889
44 2BME GNP 43.8889
45 1OIX GDP 46.1111
46 1EK0 GNP 46.4706
47 1Z0K GTP 46.5116
48 1VG8 GNP 46.6667
49 1VG1 GDP 46.6667
50 1VG9 GDP 46.6667
51 1VG0 GDP 46.6667
52 1S8F GDP 46.8927
53 2A9K GDP 47.2222
54 1TU3 GNP 47.3684
55 1D5C GDP 47.5309
56 1R2Q GNP 47.6471
57 1Z0A GDP 47.7011
58 1YVD GNP 47.929
59 1YZQ GNP 48.2353
60 2HV8 GTP 48.2558
61 5OCG GNP 48.3333
62 1KY3 GDP 48.3333
63 3MJH GTP 48.8095
64 5TB5 GDP 48.8889
65 5TAR GDP 48.8889
66 2D7C GTP 49.1018
67 1ZC3 GNP 49.1429
68 1KAO GDP 49.7006
Pocket No.: 2; Query (leader) PDB : 4XOI; Ligand: GTP; 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: 4xoi.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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