Receptor
PDB id Resolution Class Description Source Keywords
5EYP 1.9 Å NON-ENZYME: OTHER TUBULIN-DARPIN COMPLEX OVIS ARIES DARPIN MICROTUBULE TUBULIN PROTEIN BINDING CELL CYCLE
Ref.: DESTABILIZING AN INTERACTING MOTIF STRENGTHENS THE ASSOCIATION OF A DESIGNED ANKYRIN REPEAT PROTEIN WI TUBULIN. SCI REP V. 6 28922 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:506;
B:505;
B:504;
A:507;
F:201;
F:202;
A:505;
F:203;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:502;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:503;
B:503;
A:504;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GDP B:501;
Valid;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
GTP A:501;
Valid;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
LOC B:502;
Valid;
none;
submit data
399.437 C22 H25 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EYP 1.9 Å NON-ENZYME: OTHER TUBULIN-DARPIN COMPLEX OVIS ARIES DARPIN MICROTUBULE TUBULIN PROTEIN BINDING CELL CYCLE
Ref.: DESTABILIZING AN INTERACTING MOTIF STRENGTHENS THE ASSOCIATION OF A DESIGNED ANKYRIN REPEAT PROTEIN WI TUBULIN. SCI REP V. 6 28922 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 4DRX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 5EYP - 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 1312 families.
1 4DRX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 5EYP - GDP C10 H15 N5 O11 P2 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 5EYP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP; Similar ligands found: 168
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 GNP 0.839506 0.973684
6 9GM 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 GKE 0.747253 0.961039
18 GDD 0.747253 0.961039
19 GDC 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 GDR 0.72043 0.961039
26 GFB 0.72043 0.961039
27 GTG 0.72043 0.936709
28 G4P 0.715909 0.986486
29 6CK 0.712766 0.936709
30 G3A 0.712766 0.973684
31 GDP AF3 0.7 0.888889
32 GDP ALF 0.7 0.888889
33 ALF GDP 0.7 0.888889
34 YGP 0.698925 0.901235
35 JB2 0.697917 0.961039
36 GKD 0.697917 0.961039
37 GPD 0.690722 0.925
38 GDX 0.690722 0.973684
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 GDP 7MG 0.636364 0.911392
44 DGI 0.636364 0.923077
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 KB7 0.629214 0.82716
52 CG2 0.622642 0.936709
53 FEG 0.619048 0.879518
54 MGD 0.614679 0.891566
55 ZGP 0.613208 0.869048
56 GH3 0.612903 0.973333
57 3GP 0.611765 0.946667
58 MD1 0.607143 0.891566
59 PGD 0.59292 0.925
60 DGT 0.591398 0.923077
61 BGO 0.588785 0.924051
62 TPG 0.582609 0.840909
63 DBG 0.582609 0.948718
64 KBD 0.581633 0.82716
65 2GP 0.574713 0.96
66 FE9 0.570175 0.776596
67 GCP G 0.56 0.921053
68 KBJ 0.558824 0.797619
69 G A A A 0.553571 0.923077
70 A G 0.553571 0.935065
71 MGP 0.553191 0.961039
72 U A G G 0.548673 0.935065
73 G4M 0.548387 0.880952
74 6G0 0.547368 0.961039
75 G1R G1R 0.542373 0.924051
76 P2G 0.527473 0.883117
77 PGD O 0.525 0.850575
78 ADP 0.522222 0.92
79 R5I 0.520833 0.946667
80 R7I 0.520833 0.946667
81 GGM 0.517544 0.901235
82 DGP 0.516484 0.910256
83 DG 0.516484 0.910256
84 P1G 0.516129 0.871795
85 G U 0.513274 0.9
86 G1G 0.508475 0.925
87 IMP 0.505495 0.959459
88 AKW 0.504425 0.890244
89 G C 0.504348 0.9
90 GPC 0.491525 0.879518
91 G7M 0.483871 0.948052
92 6AD 0.479592 0.841463
93 ATP 0.473684 0.92
94 HEJ 0.473684 0.92
95 G2Q 0.471154 0.961039
96 AQP 0.46875 0.92
97 5FA 0.46875 0.92
98 GTA 0.468468 0.936709
99 7DD 0.468085 0.906667
100 G G G RPC 0.466102 0.875
101 SGP 0.463158 0.82716
102 01G 0.462963 0.902439
103 JSQ 0.459184 0.873418
104 HFD 0.459184 0.873418
105 AP5 0.457447 0.894737
106 B4P 0.457447 0.894737
107 A2D 0.456522 0.894737
108 6YZ 0.455446 0.896104
109 G G G C 0.455285 0.9125
110 ANP 0.454545 0.896104
111 5GP 5GP 0.454545 0.883117
112 ACQ 0.454545 0.896104
113 AT4 0.452632 0.884615
114 A G C C 0.451613 0.911392
115 APC G U 0.45082 0.886076
116 PRT 0.449541 0.959459
117 G U34 0.449153 0.888889
118 DG DG 0.448598 0.865854
119 ITT 0.447917 0.868421
120 BA3 0.446809 0.894737
121 35G 0.444444 0.933333
122 PCG 0.444444 0.933333
123 C2E 0.444444 0.921053
124 MGO 0.441176 0.864198
125 AN2 0.4375 0.907895
126 G C C C 0.4375 0.924051
127 NO7 0.436893 0.860759
128 M33 0.43299 0.883117
129 UCG 0.429688 0.911392
130 A G U 0.42963 0.888889
131 ACP 0.428571 0.896104
132 MGQ 0.424528 0.935897
133 7DT 0.424242 0.906667
134 APR 0.424242 0.894737
135 AR6 0.424242 0.894737
136 93A 0.42268 0.833333
137 A4P 0.420168 0.869048
138 AGS 0.42 0.873418
139 AD9 0.42 0.896104
140 G8D 0.42 0.875
141 SAP 0.42 0.873418
142 CA0 0.418367 0.896104
143 ATF 0.417476 0.884615
144 AGO 0.414634 0.888889
145 A G U U 0.414286 0.888889
146 KG4 0.414141 0.896104
147 NIA 0.413043 0.82716
148 MGV 0.412844 0.890244
149 T99 0.411765 0.884615
150 TAT 0.411765 0.884615
151 A1R 0.411215 0.839506
152 ADQ 0.411215 0.871795
153 RGT 0.410714 0.909091
154 CGP 0.409836 0.86747
155 HQG 0.409524 0.907895
156 C1Z 0.409091 0.986486
157 AMP 0.408602 0.893333
158 A 0.408602 0.893333
159 UP5 0.40678 0.873418
160 C2R 0.406593 0.906667
161 AMZ 0.406593 0.918919
162 JBT 0.405882 0.778947
163 A22 0.40566 0.907895
164 25L 0.405405 0.907895
165 ADX 0.40404 0.809524
166 8OD 0.401961 0.946667
167 4TC 0.4 0.851852
168 50T 0.4 0.883117
Ligand no: 2; 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
Ligand no: 3; Ligand: LOC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 LOC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EYP; Ligand: GDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5eyp.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5EYP; 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: 5eyp.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5EYP; Ligand: LOC; 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: 5eyp.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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