Receptor
PDB id Resolution Class Description Source Keywords
4M9Q 2.5 Å EC: 3.6.5.2 CRYSTAL STRUCTURE OF C-TERMINALLY TRUNCATED ARL13B FROM CHLA RHEINHARDTII BOUND TO GPPNHP CHLAMYDOMONAS REINHARDTII GTPASE G DOMAIN JOUBERT SYNDROME CILIA HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SMALL G-PROTEIN ARL13B IMPLICATIONS FOR JOUBERT SYNDROME. BIOCHEM.J. V. 457 301 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 C:303;
B:303;
A:303;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
MG C:302;
A:302;
B:302;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
GNP B:301;
A:301;
C:301;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
522.196 C10 H17 N6 O13 P3 c1nc2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M9Q 2.5 Å EC: 3.6.5.2 CRYSTAL STRUCTURE OF C-TERMINALLY TRUNCATED ARL13B FROM CHLA RHEINHARDTII BOUND TO GPPNHP CHLAMYDOMONAS REINHARDTII GTPASE G DOMAIN JOUBERT SYNDROME CILIA HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SMALL G-PROTEIN ARL13B IMPLICATIONS FOR JOUBERT SYNDROME. BIOCHEM.J. V. 457 301 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4M9Q - 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 10 families.
1 4M9Q - 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 7 families.
1 4M9Q - 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 : 4M9Q; Ligand: GNP; Similar sites found with APoc: 118
This union binding pocket(no: 1) in the query (biounit: 4m9q.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y8E GNP None
2 1YZQ GNP None
3 5W76 GDP 3.0837
4 2C78 GNP 3.0837
5 2C77 GNP 3.0837
6 2FFQ GSP 3.52423
7 4RD0 GDP 3.52423
8 5W75 GDP 3.52423
9 1I4D GDP 3.64583
10 1YRB GDP 4.84582
11 1G7C 5GP 4.84582
12 3U6B GDP 5.07614
13 2BVN GNP 5.08906
14 1KMQ GNP 5.43478
15 4XOI GTP 5.55556
16 4ZKD GDP 5.72687
17 4PC3 GDP 6.60793
18 1Z0A GDP 6.89655
19 5FG3 GDP 7.04846
20 4DCT GDP 7.04846
21 5LEF GTP 9.09091
22 1UAD GNP 9.09091
23 1ZC3 GNP 9.73451
24 5WDR GNP 9.94152
25 4J0Q GDP 12.3348
26 3VMF GTP 12.7753
27 3WXM GTP 12.7753
28 1SKQ GDP 13.2159
29 3RAB GNP 13.6095
30 2XTZ GSP 13.6564
31 6BCB GSP 13.6986
32 3W5J GDP 14.2157
33 4D0G GTP 14.4928
34 4NCN GTP 14.5374
35 4TMZ GSP 14.5374
36 3EC1 GDP 15.4185
37 5H7J GCP 16.7401
38 5H7K GDP 16.7401
39 5CK5 GDP 17.1806
40 1FQJ ALF 18.0617
41 2ODE ALF GDP 18.5022
42 1BH2 GSP 18.5022
43 1CS4 GSP 18.9427
44 6AU6 GDP 18.9427
45 1CXZ GSP 19.7674
46 5UWP GNP 20.2643
47 5DIF GNP 20.2643
48 5UWW GNP 20.2643
49 5UWU GNP 20.2643
50 5UWO GNP 20.2643
51 5UWI GNP 20.2643
52 6CIT GNP 20.2643
53 5UWT GNP 20.2643
54 5UWH GNP 20.2643
55 5DHF GNP 20.2643
56 5UWS GNP 20.2643
57 3GJ5 GDP 20.8145
58 3GJ7 GDP 20.8145
59 3WYF GTP 21.0046
60 3M1I GTP 21.0046
61 3GJ4 GDP 21.2121
62 5BXQ GDP 21.2963
63 4HAT GNP 21.2963
64 1TAD ALF 21.5859
65 1TAD GDP 21.5859
66 3CX8 GSP 22.0264
67 6BCA GSP 22.5166
68 1WF3 GNP 24.2291
69 3WYG GTP 25.2747
70 2EW1 GNP 25.3731
71 3QBT GNP 25.8621
72 5TB5 GDP 25.9459
73 1WA5 GTP 26.1364
74 1OIX GDP 26.178
75 1LFD GNP 26.9461
76 5OCG GNP 26.9841
77 1NRJ GTP 27.0642
78 2G77 GDP 27.2727
79 4LX0 BEF GDP 28.2486
80 5O2T GSP 28.4024
81 1VG8 GNP 28.5024
82 1VG0 GDP 28.5024
83 1Z06 GNP 28.5714
84 1TU3 GNP 28.655
85 6D5E GNP 28.7425
86 6BVJ GNP 28.7425
87 6D5H GNP 28.7425
88 6D55 GNP 28.7425
89 6BVI GNP 28.7425
90 6BVL GNP 28.7425
91 6D5J GNP 28.7425
92 6BVK GNP 28.7425
93 6D56 GNP 28.7425
94 6D59 GNP 28.7425
95 6D5G GNP 28.7425
96 6D5V GNP 28.7425
97 1Z0J GTP 28.8235
98 1YVD GNP 28.9941
99 2HV8 GTP 29.0698
100 1EK0 GNP 29.4118
101 5XC5 GTP 29.5455
102 5SZH GNP 29.5567
103 4HDQ GNP 30.5389
104 3TKL GTP 30.6122
105 1GUA GNP 31.1377
106 1MH1 GNP 31.1828
107 1VG1 GDP 32.4324
108 1S8F GDP 32.7684
109 2FH5 GTP 33.1776
110 5O74 GDP 33.3333
111 5UWR GNP 33.3333
112 1Z0K GTP 33.7209
113 3NKV GNP 34.2857
114 1KK1 GNP 36.1233
115 5UWQ GNP 40.9091
116 1M2O GNP 41.5789
117 1ZJ6 G3D 43.8503
118 2QTV GNP 47.3054
Pocket No.: 2; Query (leader) PDB : 4M9Q; 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: 4m9q.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4M9Q; 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: 4m9q.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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