Receptor
PDB id Resolution Class Description Source Keywords
4ZI2 2.2 Å NON-ENZYME: OTHER BART-LIKE DOMAIN OF BARTL1/CCDC104 IN COMPLEX WITH ARL3FL BO GPPNHP IN P21 21 21 MUS MUSCULUS COMPLEX ARF-LIKE GTPASE GTP-BINDING BART-LIKE DOMAIN CILHYDROLASE
Ref.: THE INTERACTION OF CCDC104/BARTL1 WITH ARL3 AND IMP FOR CILIARY FUNCTION. STRUCTURE V. 23 2122 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:302;
A:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
GNP B:301;
A:301;
Valid;
Valid;
none;
none;
submit data
522.196 C10 H17 N6 O13 P3 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZI2 2.2 Å NON-ENZYME: OTHER BART-LIKE DOMAIN OF BARTL1/CCDC104 IN COMPLEX WITH ARL3FL BO GPPNHP IN P21 21 21 MUS MUSCULUS COMPLEX ARF-LIKE GTPASE GTP-BINDING BART-LIKE DOMAIN CILHYDROLASE
Ref.: THE INTERACTION OF CCDC104/BARTL1 WITH ARL3 AND IMP FOR CILIARY FUNCTION. STRUCTURE V. 23 2122 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4ZI3 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 4ZI2 - GNP C10 H17 N6 O13 P3 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 1205 families.
1 4ZI3 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 4ZI2 - GNP C10 H17 N6 O13 P3 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 1039 families.
1 4ZI3 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 4ZI2 - 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 : 4ZI2; Ligand: GNP; Similar sites found with APoc: 109
This union binding pocket(no: 1) in the query (biounit: 4zi2.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2BVN GNP 4.58015
2 1YRB GDP 5.78947
3 4NCN GTP 7.36842
4 3W5J GDP 7.36842
5 5CK5 GDP 8.94737
6 1WF3 GNP 8.94737
7 2C78 GNP 9.62963
8 2C77 GNP 9.62963
9 3WXM GTP 10.5263
10 4RD0 GDP 12.0301
11 1SKQ GDP 12.782
12 2XTZ GSP 17.8947
13 1TAD GDP 17.8947
14 1TAD ALF 17.8947
15 2ODE ALF GDP 18.4211
16 1BH2 GSP 18.4211
17 3EC1 GDP 18.797
18 1FQJ ALF 19.0476
19 1KK1 GNP 20.3008
20 1CS4 GSP 20.5263
21 6AU6 GDP 20.5263
22 3CX8 GSP 23.6842
23 3MJH GTP 24.2105
24 1TU3 GNP 24.7368
25 1MH1 GNP 24.7368
26 2J0V GDP 24.7368
27 1R2Q GNP 24.7368
28 2FJU GSP 24.7368
29 1ZC3 GNP 25.1429
30 1GUA GNP 26.9461
31 4HDO GNP 27.5449
32 1VG1 GDP 27.8947
33 3GJ5 GDP 28.4211
34 3GJ7 GDP 28.4211
35 3GJ4 GDP 28.4211
36 1Z0J GTP 28.4211
37 5BXQ GDP 28.4211
38 4HAT GNP 28.4211
39 5UWP GNP 28.4211
40 5UWQ GNP 28.4211
41 6CIT GNP 28.4211
42 5DIF GNP 28.4211
43 5UWR GNP 28.4211
44 5UWI GNP 28.4211
45 5DHF GNP 28.4211
46 5UWW GNP 28.4211
47 5UWU GNP 28.4211
48 5UWH GNP 28.4211
49 5UWS GNP 28.4211
50 1VG8 GNP 28.4211
51 5UWJ GNP 28.4211
52 1IBR GNP 28.4211
53 1YVD GNP 28.9474
54 3RAB GNP 28.9474
55 4DCT GDP 28.9474
56 1Z06 GNP 29.1005
57 1Z0A GDP 29.3103
58 1I4D GDP 29.3233
59 1S8F GDP 29.3785
60 1OIX GDP 29.4737
61 1WA5 GTP 29.5455
62 5UWO GNP 30
63 2G77 GDP 30.5263
64 3Q72 GNP 30.7229
65 3BC1 GNP 31.0526
66 1YZN GNP 31.5789
67 2HV8 GTP 31.9767
68 4C4P GNP 32.3699
69 3T12 GDP ALF 32.6316
70 1E96 GTP 32.6316
71 2D7C GTP 32.9341
72 5XC5 GTP 33.6842
73 2GJ8 ALF GDP 34.3023
74 2FFQ GSP 34.5029
75 5UWT GNP 34.7826
76 3M1I GTP 35.2632
77 1NRJ GTP 35.2632
78 5UPK GNP 36.8421
79 5OCG GNP 37.037
80 1EK0 GNP 37.0588
81 5TB5 GDP 37.2973
82 5O74 GDP 37.7778
83 2FH5 GTP 37.8947
84 2BME GNP 38.172
85 1YZQ GNP 38.2353
86 2C5L GTP 38.7283
87 1Z0K GTP 39.5349
88 5O2T GSP 39.645
89 3QBT GNP 40
90 6D5E GNP 40.1198
91 6BVJ GNP 40.1198
92 6D5H GNP 40.1198
93 6BVI GNP 40.1198
94 6BVK GNP 40.1198
95 6D56 GNP 40.1198
96 6D5J GNP 40.1198
97 6BVL GNP 40.1198
98 6D55 GNP 40.1198
99 6D59 GNP 40.1198
100 6D5G GNP 40.1198
101 6D5V GNP 40.1198
102 1NVV GNP 40.3614
103 4D0N GDP 40.5263
104 1CXZ GSP 40.6593
105 1LFD GNP 40.7186
106 1KMQ GNP 41.8478
107 2GCO GNP 42.1053
108 1M2O GNP 43.1579
109 2QTV GNP 48.503
Pocket No.: 2; Query (leader) PDB : 4ZI2; 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: 4zi2.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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