Receptor
PDB id Resolution Class Description Source Keywords
5LEF 2.09 Å NON-ENZYME: OTHER RAB6A:KIF20A COMPLEX HOMO SAPIENS RAB GTPASE KINESIN MOTOR PROTEIN COMPLEX PROTEIN TRANSPO
Ref.: COUPLING FISSION AND EXIT OF RAB6 VESICLES AT GOLGI THROUGH KINESIN-MYOSIN INTERACTIONS. NAT COMMUN V. 8 1254 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:204;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
IPA B:205;
Invalid;
none;
submit data
60.095 C3 H8 O CC(C)...
MG B:202;
A:202;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
SO4 B:204;
A:203;
B:203;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GTP A:201;
B:201;
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
5LEF 2.09 Å NON-ENZYME: OTHER RAB6A:KIF20A COMPLEX HOMO SAPIENS RAB GTPASE KINESIN MOTOR PROTEIN COMPLEX PROTEIN TRANSPO
Ref.: COUPLING FISSION AND EXIT OF RAB6 VESICLES AT GOLGI THROUGH KINESIN-MYOSIN INTERACTIONS. NAT COMMUN V. 8 1254 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 5LEF - GTP C10 H16 N5 O14 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 1312 families.
1 5LEF - GTP C10 H16 N5 O14 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 1130 families.
1 5LEF - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTP; Similar ligands found: 162
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 GNP 0.809524 0.973684
9 9GM 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 GDC 0.741935 0.961039
20 GKE 0.741935 0.961039
21 GDD 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 GDP ALF 0.659574 0.888889
39 ALF GDP 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 KB7 0.608696 0.82716
52 TPG 0.608696 0.840909
53 CG2 0.605505 0.936709
54 GDP 7MG 0.601942 0.911392
55 FEG 0.601852 0.879518
56 G G 0.598039 0.948052
57 ZGP 0.59633 0.869048
58 PGD 0.591304 0.925
59 MD1 0.591304 0.891566
60 3GP 0.590909 0.946667
61 GPX 0.581633 0.946667
62 DGI 0.580645 0.923077
63 IDP 0.576087 0.972973
64 DBG 0.567797 0.948718
65 KBD 0.564356 0.82716
66 2GP 0.555556 0.96
67 FE9 0.555556 0.776596
68 G4M 0.547619 0.880952
69 BGO 0.544643 0.924051
70 GCP G 0.543689 0.921053
71 KBJ 0.542857 0.797619
72 HEJ 0.537634 0.92
73 ATP 0.537634 0.92
74 G1G 0.533898 0.925
75 AQP 0.531915 0.92
76 5FA 0.531915 0.92
77 G A A A 0.525862 0.923077
78 A G 0.525862 0.935065
79 U A G G 0.521368 0.935065
80 HFD 0.520833 0.873418
81 JSQ 0.520833 0.873418
82 R5I 0.520408 0.946667
83 R7I 0.520408 0.946667
84 01G 0.518868 0.902439
85 ITT 0.510638 0.868421
86 P2G 0.510638 0.883117
87 AKW 0.504348 0.890244
88 GGM 0.504274 0.901235
89 G1R G1R 0.504065 0.924051
90 PGD O 0.5 0.850575
91 MGO 0.5 0.864198
92 DG 0.5 0.910256
93 DGP 0.5 0.910256
94 P1G 0.5 0.871795
95 GTA 0.495495 0.936709
96 PRT 0.490741 0.959459
97 AP5 0.489362 0.894737
98 B4P 0.489362 0.894737
99 IMP 0.489362 0.959459
100 G U 0.487179 0.9
101 7DT 0.484536 0.906667
102 GPC 0.479339 0.879518
103 G C 0.478992 0.9
104 BA3 0.478723 0.894737
105 ADP 0.473684 0.92
106 G2Q 0.471698 0.961039
107 6YZ 0.470588 0.896104
108 G7M 0.46875 0.948052
109 C1Z 0.462963 0.986486
110 25L 0.458716 0.907895
111 A2D 0.457447 0.894737
112 RGT 0.45045 0.909091
113 SAP 0.45 0.873418
114 AGS 0.45 0.873418
115 SGP 0.44898 0.82716
116 A4P 0.445378 0.869048
117 G G G RPC 0.442623 0.875
118 8GT 0.441176 0.875
119 ANP 0.441176 0.896104
120 ACQ 0.441176 0.896104
121 APC G U 0.44 0.886076
122 AT4 0.438776 0.884615
123 G U34 0.438017 0.888889
124 6AD 0.436893 0.841463
125 G G G C 0.433071 0.9125
126 UP5 0.432203 0.873418
127 PCG 0.431373 0.933333
128 C2E 0.431373 0.921053
129 35G 0.431373 0.933333
130 A G C C 0.429688 0.911392
131 TAT 0.427184 0.884615
132 T99 0.427184 0.884615
133 5GP 5GP 0.427184 0.883117
134 APR 0.425743 0.894737
135 AR6 0.425743 0.894737
136 7DD 0.424242 0.906667
137 AN2 0.424242 0.907895
138 DG DG 0.423423 0.865854
139 AD9 0.421569 0.896104
140 M33 0.42 0.883117
141 7D4 0.42 0.835443
142 UCG 0.419847 0.911392
143 H6Y 0.419048 0.946667
144 HDV 0.419048 0.825
145 G C C C 0.416667 0.924051
146 ACP 0.415842 0.896104
147 T5A 0.414634 0.802326
148 MGQ 0.412844 0.935897
149 A1R 0.412844 0.839506
150 ADQ 0.412844 0.871795
151 A3R 0.412844 0.839506
152 HQG 0.411215 0.907895
153 MGT 0.411215 0.823529
154 A G U 0.410072 0.888889
155 93A 0.41 0.833333
156 A22 0.407407 0.907895
157 CA0 0.405941 0.896104
158 ATF 0.40566 0.884615
159 AGO 0.404762 0.888889
160 KG4 0.401961 0.896104
161 MGV 0.401786 0.890244
162 CGP 0.4 0.86747
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5LEF; Ligand: GTP; Similar sites found with APoc: 139
This union binding pocket(no: 1) in the query (biounit: 5lef.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 6A8D GDP 2.09424
2 4LC1 GDP 3.66492
3 4LC1 GDP 3.66492
4 2BVN GNP 4.18848
5 2A5F GTP 5.71429
6 2WIC GNP 5.99251
7 5YT0 GDP 6.06061
8 1TAD GDP 7.8534
9 1TAD ALF 7.8534
10 5CK5 GDP 8.37696
11 5CK5 GDP 8.37696
12 5CK5 GDP 8.37696
13 1R4A GNP 8.48485
14 1R4A GNP 8.48485
15 1R4A GNP 8.48485
16 4M9Q GNP 9.09091
17 4M9Q GNP 9.09091
18 4M9Q GNP 9.09091
19 3EC1 GDP 9.09091
20 1SKQ GDP 10.6061
21 1SKQ GDP 10.6061
22 2WJG GDP 11.1702
23 5FG3 GDP 12.1212
24 1YRB GDP 12.1212
25 2QN6 GDP 12.1212
26 2C77 GNP 12.1212
27 1YRB GDP 12.1212
28 4RD0 GDP 12.1212
29 3WXM GTP 12.1212
30 3WXM GTP 12.1212
31 2C78 GNP 12.1212
32 3WXM GTP 12.1212
33 3WXM GTP 12.1212
34 1KK1 GNP 13.6364
35 3PQC GDP 13.6364
36 3CX8 GSP 14.6597
37 4NCN GTP 15.1515
38 4NCN GTP 15.1515
39 1CS4 GSP 16.6667
40 1RE0 GDP 18.1818
41 1ZJ6 G3D 22.4599
42 1KSH GDP 22.7273
43 2XTZ GSP 24.2424
44 2XTZ GSP 24.2424
45 2XTZ GSP 24.2424
46 6G14 G4P 27.7487
47 1NRJ GTP 27.9817
48 4DCT GDP 32.4607
49 4DCT GDP 32.4607
50 2FH5 GTP 33.3333
51 2FH5 GTP 33.3333
52 2FH5 GTP 33.3333
53 1FZQ GDP 35.9116
54 6IZW GSP 36.1257
55 1F6B GDP 39.267
56 1F6B GDP 39.267
57 1O3Y GTP 40.9639
58 1J2J GTP 40.9639
59 2WKQ GTP 42.4084
60 5TB5 GDP 43.7838
61 5TAR GDP 43.7838
62 3SBD GNP 43.8503
63 3SBD GNP 43.8503
64 6R3V GDP 43.9791
65 2J0V GDP 43.9791
66 2J0V GDP 43.9791
67 5UQW GDP 44.4444
68 5UQW GDP 44.4444
69 6HXU GTP 44.8087
70 6SGE GTP 44.8087
71 6SGE GTP 44.8087
72 2W2X GSP 44.8649
73 2W2X GSP 44.8649
74 2G77 GDP 45.0262
75 2G77 AF3 45.0262
76 2GCO GNP 45.2736
77 4D0N GDP 45.4054
78 1GWN GTP 45.5497
79 1GWN GTP 45.5497
80 1CXZ GSP 46.1538
81 1MH1 GNP 46.2366
82 2FJU GSP 46.6292
83 1TX4 ALF GDP 46.8927
84 3M1I GTP 47.1204
85 3GJ5 GDP 47.1204
86 3GJ4 GDP 47.1204
87 3GJ7 GDP 47.1204
88 3GJ5 GDP 47.1204
89 1GRN GDP 47.1204
90 1A4R GNH 47.1204
91 1A4R GDP 47.1204
92 1M7B GTP 47.2826
93 5UPK GNP 47.5676
94 3BC1 GNP 47.644
95 3BC1 GNP 47.644
96 5DIF GNP 47.644
97 5UWW GNP 47.644
98 4HAT GNP 47.644
99 5UWP GNP 47.644
100 5UWT GNP 47.644
101 5UWQ GNP 47.644
102 6CIT GNP 47.644
103 5UWU GNP 47.644
104 5UWO GNP 47.644
105 5DHF GNP 47.644
106 5UWH GNP 47.644
107 5UWS GNP 47.644
108 1IBR GNP 47.644
109 5UWJ GNP 47.644
110 1I4D GDP 47.644
111 5UWI GNP 47.644
112 5UWR GNP 47.644
113 5BXQ GDP 47.644
114 5BXQ GDP 47.644
115 1IBR GNP 47.644
116 3GJ3 GDP 47.644
117 5DI9 GNP 47.644
118 5BXQ GDP 47.644
119 1E96 GTP 47.644
120 3CH5 GDP 47.644
121 6FA3 GNP 47.6744
122 6FA3 GNP 47.6744
123 6FA3 GNP 47.6744
124 6FA3 GNP 47.6744
125 6FA3 GNP 47.6744
126 6FA3 GNP 47.6744
127 1Z06 GNP 48.1481
128 5WHA GDP 48.8235
129 5WLB GNP 49.3976
130 5WLB GNP 49.3976
131 5IRC GDP 49.4624
132 5IRC GDP 49.4624
133 5O2T GSP 49.7041
134 2C5L GTP 49.711
135 2C5L GTP 49.711
136 1NF3 GNP 49.7382
137 1NF3 GNP 49.7382
138 1NF3 GNP 49.7382
139 1NF3 GNP 49.7382
140 3DDC GNP 50
141 3DDC GNP 50
Pocket No.: 2; Query (leader) PDB : 5LEF; Ligand: GTP; Similar sites found with APoc: 132
This union binding pocket(no: 2) in the query (biounit: 5lef.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5KUT GDP None
2 6A8D GDP 2.09424
3 2BVN GNP 4.18848
4 2A5F GTP 5.71429
5 2WIC GNP 5.99251
6 5YT0 GDP 6.06061
7 1TAD GDP 7.8534
8 1TAD ALF 7.8534
9 5CK5 GDP 8.37696
10 5CK5 GDP 8.37696
11 5CK5 GDP 8.37696
12 1R4A GNP 8.48485
13 1R4A GNP 8.48485
14 1R4A GNP 8.48485
15 4M9Q GNP 9.09091
16 4M9Q GNP 9.09091
17 4M9Q GNP 9.09091
18 3EC1 GDP 9.09091
19 1SKQ GDP 10.6061
20 1SKQ GDP 10.6061
21 2WJG GDP 11.1702
22 5FG3 GDP 12.1212
23 1YRB GDP 12.1212
24 2QN6 GDP 12.1212
25 2C77 GNP 12.1212
26 1YRB GDP 12.1212
27 4RD0 GDP 12.1212
28 3WXM GTP 12.1212
29 1KK1 GNP 13.6364
30 3PQC GDP 13.6364
31 3CX8 GSP 14.6597
32 4NCN GTP 15.1515
33 4NCN GTP 15.1515
34 1CS4 GSP 16.6667
35 1RE0 GDP 18.1818
36 1FQJ ALF 21.2121
37 1ZJ6 G3D 22.4599
38 1KSH GDP 22.7273
39 2XTZ GSP 24.2424
40 2XTZ GSP 24.2424
41 2XTZ GSP 24.2424
42 6G14 G4P 27.7487
43 1NRJ GTP 27.9817
44 4DCT GDP 32.4607
45 2FH5 GTP 33.3333
46 2FH5 GTP 33.3333
47 2FH5 GTP 33.3333
48 1FZQ GDP 35.9116
49 6IZW GSP 36.1257
50 1F6B GDP 39.267
51 1J2J GTP 40.9639
52 2WKQ GTP 42.4084
53 5TB5 GDP 43.7838
54 5TAR GDP 43.7838
55 3SBD GNP 43.8503
56 3SBD GNP 43.8503
57 6R3V GDP 43.9791
58 2J0V GDP 43.9791
59 2J0V GDP 43.9791
60 5UQW GDP 44.4444
61 5UQW GDP 44.4444
62 6HXU GTP 44.8087
63 6SGE GTP 44.8087
64 6SGE GTP 44.8087
65 2W2X GSP 44.8649
66 2W2X GSP 44.8649
67 2G77 GDP 45.0262
68 2G77 AF3 45.0262
69 2GCO GNP 45.2736
70 4D0N GDP 45.4054
71 1GWN GTP 45.5497
72 1GWN GTP 45.5497
73 1CXZ GSP 46.1538
74 1MH1 GNP 46.2366
75 2FJU GSP 46.6292
76 1TX4 ALF GDP 46.8927
77 3M1I GTP 47.1204
78 3GJ5 GDP 47.1204
79 3GJ4 GDP 47.1204
80 3GJ7 GDP 47.1204
81 1GRN GDP 47.1204
82 3GJ5 GDP 47.1204
83 1A4R GNH 47.1204
84 1A4R GDP 47.1204
85 1M7B GTP 47.2826
86 5UPK GNP 47.5676
87 3BC1 GNP 47.644
88 3BC1 GNP 47.644
89 5DIF GNP 47.644
90 5UWP GNP 47.644
91 5UWQ GNP 47.644
92 4HAT GNP 47.644
93 5UWW GNP 47.644
94 5UWT GNP 47.644
95 5UWU GNP 47.644
96 5UWO GNP 47.644
97 6CIT GNP 47.644
98 5DHF GNP 47.644
99 5UWH GNP 47.644
100 5UWS GNP 47.644
101 1IBR GNP 47.644
102 1I4D GDP 47.644
103 5UWJ GNP 47.644
104 5UWI GNP 47.644
105 5UWR GNP 47.644
106 1IBR GNP 47.644
107 5BXQ GDP 47.644
108 5BXQ GDP 47.644
109 5DI9 GNP 47.644
110 3GJ3 GDP 47.644
111 1E96 GTP 47.644
112 5BXQ GDP 47.644
113 3CH5 GDP 47.644
114 6FA3 GNP 47.6744
115 6FA3 GNP 47.6744
116 6FA3 GNP 47.6744
117 6FA3 GNP 47.6744
118 6FA3 GNP 47.6744
119 6FA3 GNP 47.6744
120 1Z06 GNP 48.1481
121 5WHA GDP 48.8235
122 5WLB GNP 49.3976
123 5WLB GNP 49.3976
124 5IRC GDP 49.4624
125 5IRC GDP 49.4624
126 5O2T GSP 49.7041
127 2C5L GTP 49.711
128 2C5L GTP 49.711
129 1NF3 GNP 49.7382
130 1NF3 GNP 49.7382
131 1NF3 GNP 49.7382
132 1NF3 GNP 49.7382
133 3DDC GNP 50
134 3DDC GNP 50
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