Receptor
PDB id Resolution Class Description Source Keywords
4O4L 2.2 Å NON-ENZYME: OTHER TUBULIN-PELORUSIDE A-EPOTHILONE A COMPLEX BOS TAURUS ALPHA-TUBULIN BETA-TUBULIN LIGASE GTPASE MICROTUBULE STPELORUSIDE A EPOTHILONE A TUBULIN FOLD CYTOSKELETON CELINHIBITOR COMPLEX
Ref.: STRUCTURAL BASIS OF MICROTUBULE STABILIZATION BY LA AND PELORUSIDE A. ANGEW.CHEM.INT.ED.ENGL. V. 53 1621 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:502;
A:502;
D:502;
C:502;
Part of Protein;
Invalid;
Part of Protein;
Invalid;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
POU B:503;
D:503;
Valid;
Valid;
none;
none;
submit data
548.663 C27 H48 O11 CC[C@...
MES B:507;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
GTP A:501;
C:501;
Valid;
Valid;
none;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
EP B:504;
D:504;
Valid;
Valid;
none;
none;
submit data
493.656 C26 H39 N O6 S Cc1nc...
GDP B:501;
D:501;
Valid;
Valid;
none;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
CA B:506;
B:505;
A:503;
Part of Protein;
Invalid;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5LXT 1.9 Å NON-ENZYME: OTHER TUBULIN-DISCODERMOLIDE COMPLEX BOS TAURUS CELL CYCLE TUBULIN FOLD CYTOSKELETON MICROTUBULE DISCODE
Ref.: STRUCTURAL BASIS OF MICROTUBULE STABILIZATION BY DISCODERMOLIDE. CHEMBIOCHEM V. 18 905 2017
Members (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4TUY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 5LXT Ka = 8720000000 M^-1 7AK C33 H55 N O8 C[C@H]1[C@....
3 5NJH Ka = 180000 M^-1 8Z8 C19 H17 Cl F3 N5 O COC1C[C@H]....
4 5M8D - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 5JVD Ka = 13000000 M^-1 6NL C19 H18 O6 C/C(=Cc1cc....
6 5GON - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 5M8G - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 4I50 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 4O2B ic50 = 1.4 uM LOC C22 H25 N O6 CC(=O)N[C@....
10 5IYZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
11 4O4L - POU C27 H48 O11 CC[C@@H](C....
12 4I55 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
13 4O2A Kd = 1.8 uM 2RR C20 H17 N7 O2 c1ccc2c(c1....
14 4O4I - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
15 5CA0 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
16 5KX5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
17 5J2U - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
18 5JH7 Kd = 45 nM 6K9 C40 H59 N O11 C[C@@H]1C[....
19 5O7A - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 4IHJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 5M7E - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
22 5LOV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
23 5M7G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
24 4O4J - POU C27 H48 O11 CC[C@@H](C....
25 5LXS Ka = 93000000 M^-1 7AO C43 H65 N5 O9 C[C@H]1[C@....
26 4TV8 - 3GT C34 H46 Cl N3 O10 C[C@@H]1[C....
27 5EZY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
28 5CA1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
29 4I4T - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
30 4TV9 - 3H4 C31 H45 N3 O7 C/C=CC[C@@....
31 5BMV - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
32 4ZOL - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
33 4O4H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
34 5LA6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
35 5CB4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
36 5J2T - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
70% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4TUY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 5LXT Ka = 8720000000 M^-1 7AK C33 H55 N O8 C[C@H]1[C@....
3 5NJH Ka = 180000 M^-1 8Z8 C19 H17 Cl F3 N5 O COC1C[C@H]....
4 5M8D - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 5JVD Ka = 13000000 M^-1 6NL C19 H18 O6 C/C(=Cc1cc....
6 5GON - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 5M8G - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 4I50 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 4O2B ic50 = 1.4 uM LOC C22 H25 N O6 CC(=O)N[C@....
10 5IYZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
11 4O4L - POU C27 H48 O11 CC[C@@H](C....
12 4I55 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
13 4O2A Kd = 1.8 uM 2RR C20 H17 N7 O2 c1ccc2c(c1....
14 4O4I - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
15 5CA0 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
16 5KX5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
17 5J2U - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
18 5JH7 Kd = 45 nM 6K9 C40 H59 N O11 C[C@@H]1C[....
19 5O7A - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 4IHJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 5M7E - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
22 5LOV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
23 5M7G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
24 4O4J - POU C27 H48 O11 CC[C@@H](C....
25 5LXS Ka = 93000000 M^-1 7AO C43 H65 N5 O9 C[C@H]1[C@....
26 4TV8 - 3GT C34 H46 Cl N3 O10 C[C@@H]1[C....
27 5EZY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
28 5CA1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
29 4I4T - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
30 4TV9 - 3H4 C31 H45 N3 O7 C/C=CC[C@@....
31 5BMV - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
32 4ZOL - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
33 4O4H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
34 5LA6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
35 5CB4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
36 5J2T - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5JVD Ka = 13000000 M^-1 6NL C19 H18 O6 C/C(=Cc1cc....
2 5GON - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 5M8G - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 4I50 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 4O2B ic50 = 1.4 uM LOC C22 H25 N O6 CC(=O)N[C@....
6 5IYZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
7 4O4L - POU C27 H48 O11 CC[C@@H](C....
8 4I55 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 4O2A Kd = 1.8 uM 2RR C20 H17 N7 O2 c1ccc2c(c1....
10 4O4I - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
11 5CA0 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
12 5M7E - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 5LOV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
14 5M7G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
15 4O4J - POU C27 H48 O11 CC[C@@H](C....
16 5LXS Ka = 93000000 M^-1 7AO C43 H65 N5 O9 C[C@H]1[C@....
17 4TV8 - 3GT C34 H46 Cl N3 O10 C[C@@H]1[C....
18 5EZY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
19 5CA1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 4I4T - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
21 4TV9 - 3H4 C31 H45 N3 O7 C/C=CC[C@@....
22 5BMV - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
23 4ZOL - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
24 4O4H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
25 5LA6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
26 5CB4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
27 5J2T - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
28 5EIB - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
29 5ITZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
30 4LNU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: POU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 POU 1 1
Ligand no: 2; Ligand: GTP; Similar ligands found: 147
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 GCP 0.797619 0.973684
10 5GP 0.797468 0.986486
11 G 0.797468 0.986486
12 GMV 0.764706 0.973684
13 G2R 0.764045 0.961039
14 G5P 0.755319 0.973684
15 GTG 0.752688 0.936709
16 G2P 0.747126 0.961039
17 G3A 0.744681 0.973684
18 GDD 0.741935 0.961039
19 GKE 0.741935 0.961039
20 GDC 0.741935 0.961039
21 0O2 0.736264 0.986486
22 GP2 0.729412 0.961039
23 6CK 0.726316 0.936709
24 Y9Z 0.723404 0.902439
25 GPG 0.717391 0.961039
26 GFB 0.715789 0.961039
27 GDR 0.715789 0.961039
28 GDP MG 0.712644 0.923077
29 GDP BEF 0.704545 0.9
30 GPD 0.704082 0.925
31 JB2 0.693878 0.961039
32 GKD 0.693878 0.961039
33 GCP G 0.692308 0.935065
34 GDX 0.686869 0.973684
35 ALF 5GP 0.685393 0.888889
36 GTP MG 0.681319 0.923077
37 BEF GDP 0.681319 0.888889
38 GH3 0.681319 0.973333
39 YGP 0.677083 0.901235
40 G3D 0.67033 0.986486
41 GDP AF3 0.659574 0.888889
42 GDP ALF 0.659574 0.888889
43 DGT 0.659341 0.923077
44 GMP 0.658228 0.88
45 G4P 0.655914 0.986486
46 JB3 0.653846 0.948718
47 NGD 0.647619 0.961039
48 CAG 0.642202 0.880952
49 2MD 0.62963 0.891566
50 G G 0.622449 0.935065
51 MGP 0.619565 0.961039
52 U2G 0.616822 0.936709
53 6G0 0.612903 0.961039
54 MGD 0.612613 0.891566
55 TPG 0.608696 0.840909
56 CG2 0.605505 0.936709
57 GDP 7MG 0.601942 0.911392
58 FEG 0.601852 0.879518
59 ZGP 0.59633 0.869048
60 MD1 0.591304 0.891566
61 PGD 0.591304 0.925
62 3GP 0.590909 0.946667
63 GPX 0.581633 0.946667
64 DGI 0.580645 0.923077
65 IDP 0.576087 0.972973
66 DBG 0.567797 0.948718
67 FE9 0.555556 0.776596
68 2GP 0.555556 0.96
69 G4M 0.547619 0.880952
70 BGO 0.544643 0.924051
71 I2C FE2 CMO CMO 0.538462 0.808989
72 ATP 0.537634 0.92
73 G1G 0.533898 0.925
74 AQP 0.531915 0.92
75 5FA 0.531915 0.92
76 G A A A 0.525862 0.923077
77 U A G G 0.521368 0.935065
78 01G 0.518868 0.902439
79 ITT 0.510638 0.868421
80 P2G 0.510638 0.883117
81 GGM 0.504274 0.901235
82 G1R G1R 0.504065 0.924051
83 DGP 0.5 0.910256
84 PGD O 0.5 0.850575
85 MGO 0.5 0.864198
86 P1G 0.5 0.871795
87 DG 0.5 0.910256
88 GTA 0.495495 0.936709
89 B4P 0.489362 0.894737
90 AP5 0.489362 0.894737
91 IMP 0.489362 0.959459
92 7DT 0.484536 0.906667
93 G G U 0.482143 0.935065
94 GPC 0.479339 0.879518
95 G C 0.478992 0.9
96 BA3 0.478723 0.894737
97 ADP 0.473684 0.92
98 G2Q 0.471698 0.961039
99 G7M 0.46875 0.948052
100 25L 0.458716 0.907895
101 A2D 0.457447 0.894737
102 RGT 0.45045 0.909091
103 AGS 0.45 0.873418
104 SAP 0.45 0.873418
105 SGP 0.44898 0.82716
106 U G A 0.448529 0.888889
107 A4P 0.445378 0.869048
108 G G G RPC 0.442623 0.875
109 ACQ 0.441176 0.896104
110 ANP 0.441176 0.896104
111 8GT 0.441176 0.875
112 APC G U 0.44 0.886076
113 G U34 0.438017 0.888889
114 6AD 0.436893 0.841463
115 G G G C 0.433071 0.9125
116 UP5 0.432203 0.873418
117 35G 0.431373 0.933333
118 C2E 0.431373 0.921053
119 PCG 0.431373 0.933333
120 A G C C 0.429688 0.911392
121 5GP 5GP 0.427184 0.883117
122 TAT 0.427184 0.884615
123 APR 0.425743 0.894737
124 AR6 0.425743 0.894737
125 AN2 0.424242 0.907895
126 7DD 0.424242 0.906667
127 DG DG 0.423423 0.865854
128 AD9 0.421569 0.896104
129 M33 0.42 0.883117
130 7D4 0.42 0.835443
131 UCG 0.419847 0.911392
132 H6Y 0.419048 0.946667
133 G C C C 0.416667 0.924051
134 ACP 0.415842 0.896104
135 T5A 0.414634 0.802326
136 MGQ 0.412844 0.935897
137 ADQ 0.412844 0.871795
138 A1R 0.412844 0.839506
139 MGT 0.411215 0.823529
140 A G U 0.410072 0.888889
141 93A 0.41 0.833333
142 A22 0.407407 0.907895
143 CA0 0.405941 0.896104
144 ATF 0.40566 0.884615
145 AGO 0.404762 0.888889
146 MGV 0.401786 0.890244
147 CGP 0.4 0.86747
Ligand no: 3; Ligand: EP; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 EP 1 1
2 EPB 0.666667 1
3 EPD 0.621359 0.943396
Ligand no: 4; Ligand: GDP; Similar ligands found: 153
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 G 0.828947 0.986486
7 5GP 0.828947 0.986486
8 G1R 0.82716 0.986667
9 GCP 0.82716 0.973684
10 GSP 0.817073 0.948718
11 GAV 0.797619 0.961039
12 GMV 0.792683 0.973684
13 G2P 0.77381 0.961039
14 G2R 0.770115 0.961039
15 GDP MG 0.759036 0.923077
16 GP2 0.756098 0.961039
17 GDP BEF 0.75 0.9
18 GDD 0.747253 0.961039
19 GKE 0.747253 0.961039
20 GDC 0.747253 0.961039
21 GPG 0.741573 0.961039
22 G3D 0.732558 0.986486
23 ALF 5GP 0.729412 0.888889
24 Y9Z 0.728261 0.902439
25 GTP MG 0.724138 0.923077
26 BEF GDP 0.724138 0.888889
27 G5P 0.723404 0.973684
28 GFB 0.72043 0.961039
29 GTG 0.72043 0.936709
30 GDR 0.72043 0.961039
31 G4P 0.715909 0.986486
32 GCP G 0.715909 0.935065
33 6CK 0.712766 0.936709
34 G3A 0.712766 0.973684
35 GDP ALF 0.7 0.888889
36 GDP AF3 0.7 0.888889
37 YGP 0.698925 0.901235
38 JB2 0.697917 0.961039
39 GKD 0.697917 0.961039
40 GDX 0.690722 0.973684
41 GPD 0.690722 0.925
42 GMP 0.684211 0.88
43 0O2 0.666667 0.986486
44 G G 0.659574 0.935065
45 JB3 0.656863 0.948718
46 NGD 0.650485 0.961039
47 GDP 7MG 0.636364 0.911392
48 DGI 0.636364 0.923077
49 U2G 0.634615 0.936709
50 GPX 0.634409 0.946667
51 IDP 0.632184 0.972973
52 2MD 0.632075 0.891566
53 CAG 0.62963 0.880952
54 CG2 0.622642 0.936709
55 FEG 0.619048 0.879518
56 MGD 0.614679 0.891566
57 ZGP 0.613208 0.869048
58 GH3 0.612903 0.973333
59 3GP 0.611765 0.946667
60 MD1 0.607143 0.891566
61 PGD 0.59292 0.925
62 DGT 0.591398 0.923077
63 BGO 0.588785 0.924051
64 TPG 0.582609 0.840909
65 DBG 0.582609 0.948718
66 2GP 0.574713 0.96
67 FE9 0.570175 0.776596
68 I2C FE2 CMO CMO 0.566372 0.808989
69 G A A A 0.553571 0.923077
70 MGP 0.553191 0.961039
71 U A G G 0.548673 0.935065
72 G4M 0.548387 0.880952
73 6G0 0.547368 0.961039
74 G1R G1R 0.542373 0.924051
75 P2G 0.527473 0.883117
76 PGD O 0.525 0.850575
77 ADP 0.522222 0.92
78 GGM 0.517544 0.901235
79 DG 0.516484 0.910256
80 DGP 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G G U 0.509259 0.935065
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 G C 0.504348 0.9
86 GPC 0.491525 0.879518
87 G7M 0.483871 0.948052
88 6AD 0.479592 0.841463
89 ATP 0.473684 0.92
90 G2Q 0.471154 0.961039
91 U G A 0.469697 0.888889
92 5FA 0.46875 0.92
93 AQP 0.46875 0.92
94 GTA 0.468468 0.936709
95 7DD 0.468085 0.906667
96 G G G RPC 0.466102 0.875
97 SGP 0.463158 0.82716
98 01G 0.462963 0.902439
99 B4P 0.457447 0.894737
100 AP5 0.457447 0.894737
101 A2D 0.456522 0.894737
102 G G G C 0.455285 0.9125
103 ACQ 0.454545 0.896104
104 5GP 5GP 0.454545 0.883117
105 ANP 0.454545 0.896104
106 A G C C 0.451613 0.911392
107 APC G U 0.45082 0.886076
108 G U34 0.449153 0.888889
109 DG DG 0.448598 0.865854
110 ITT 0.447917 0.868421
111 BA3 0.446809 0.894737
112 35G 0.444444 0.933333
113 C2E 0.444444 0.921053
114 PCG 0.444444 0.933333
115 MGO 0.441176 0.864198
116 AN2 0.4375 0.907895
117 G C C C 0.4375 0.924051
118 M33 0.43299 0.883117
119 UCG 0.429688 0.911392
120 A G U 0.42963 0.888889
121 ACP 0.428571 0.896104
122 MGQ 0.424528 0.935897
123 7DT 0.424242 0.906667
124 APR 0.424242 0.894737
125 AR6 0.424242 0.894737
126 93A 0.42268 0.833333
127 A4P 0.420168 0.869048
128 SAP 0.42 0.873418
129 AD9 0.42 0.896104
130 AGS 0.42 0.873418
131 G8D 0.42 0.875
132 CA0 0.418367 0.896104
133 ATF 0.417476 0.884615
134 AGO 0.414634 0.888889
135 NIA 0.413043 0.82716
136 MGV 0.412844 0.890244
137 TAT 0.411765 0.884615
138 A1R 0.411215 0.839506
139 ADQ 0.411215 0.871795
140 RGT 0.410714 0.909091
141 CGP 0.409836 0.86747
142 AMP 0.408602 0.893333
143 A 0.408602 0.893333
144 UP5 0.40678 0.873418
145 C2R 0.406593 0.906667
146 AMZ 0.406593 0.918919
147 JBT 0.405882 0.778947
148 A22 0.40566 0.907895
149 25L 0.405405 0.907895
150 ADX 0.40404 0.809524
151 8OD 0.401961 0.946667
152 4TC 0.4 0.851852
153 50T 0.4 0.883117
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5LXT; Ligand: GDP; Similar sites found: 21
This union binding pocket(no: 1) in the query (biounit: 5lxt.bio1) has 81 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4AVB ACO 0.0426 0.40448 4.1958
2 5LOF 70R 0.004448 0.43773 4.26966
3 3IX9 MTX 0.01114 0.44727 6.84211
4 1GEG GLC 0.02292 0.48613 7.8125
5 4UCC ZKW 0.04951 0.42696 8.15451
6 4EI7 GDP 0.00000001988 0.70446 8.39161
7 3IA4 MTX 0.04134 0.42337 8.64198
8 5UC9 MYR 0.02083 0.4579 9.79021
9 1TV5 N8E 0.007171 0.48959 10.3371
10 4XPL ACO 0.03439 0.42172 11.0429
11 4RW3 TDA 0.01957 0.49387 11.2583
12 1XXR MAN 0.04647 0.42844 11.8012
13 4DXD GDP 0.000001339 0.60699 11.9101
14 4QC6 30N 0.02617 0.41709 12.8492
15 1FK5 OLA 0.03655 0.41 12.9032
16 4ELG 52J 0.01935 0.42347 15.6627
17 4ELG 52I 0.02155 0.4163 15.6627
18 4OAS 2SW 0.01509 0.44717 19.7917
19 4LWU 20U 0.04615 0.42075 20
20 2Q0L NAP 0.04005 0.4211 20.979
21 3E5A VX6 0.02911 0.41015 23.0769
Pocket No.: 2; Query (leader) PDB : 5LXT; Ligand: GTP; Similar sites found: 40
This union binding pocket(no: 2) in the query (biounit: 5lxt.bio1) has 67 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZJX BOG 0.01959 0.44918 4.49438
2 2ZTG A5A 0.021 0.42585 4.94792
3 3VRY B43 0.02283 0.40359 5.20833
4 1WPY BTN 0.01693 0.40936 5.59441
5 3PP0 03Q 0.009325 0.42332 5.6213
6 2ZBA ZBA 0.03226 0.42238 6.51042
7 2BES RES 0.02826 0.42881 6.97674
8 1W62 PYC 0.02264 0.44584 7.03125
9 4FFG 0U8 0.00693 0.47921 7.69231
10 4KBA 1QM 0.02383 0.44038 7.85498
11 4UCC ZKW 0.006476 0.48588 8.15451
12 4EI7 GDP 0.000000123 0.65421 8.39161
13 1CM0 COA 0.0278 0.42583 8.39161
14 1SQL GUN 0.03585 0.43398 9.58904
15 3CV2 COA 0.01689 0.46217 9.63542
16 2GMH UQ5 0.03327 0.40514 9.66292
17 4QAC KK3 0.01457 0.42219 9.67742
18 2GVJ DGB 0.03568 0.40864 9.79021
19 2QHS OCA 0.02611 0.43429 10.1266
20 1Q8Q MAN MMA 0.0118 0.46173 11.1111
21 1Q8S MAN MMA 0.01193 0.4616 11.1111
22 2GND MAN MMA 0.01225 0.46129 11.1111
23 2PHT MAN MAN MAN BMA MAN 0.01748 0.44395 11.1111
24 2GMM MAN MAN 0.02075 0.44195 11.1111
25 1LNM DTX 0.03939 0.4065 11.413
26 2AZ5 307 0.0275 0.41986 11.4865
27 3G4Q MCH 0.04897 0.41575 11.6438
28 1XXR MAN 0.01913 0.4491 11.8012
29 1M0S CIT 0.04756 0.42325 11.8721
30 3VPC ADP 0.02635 0.4125 11.8881
31 4DXD GDP 0.0000002963 0.62461 11.9101
32 4FE2 AIR 0.04503 0.42108 12.549
33 1LOB MMA 0.03925 0.43239 13.4615
34 5N53 8NB 0.03337 0.43734 13.986
35 1DZK PRZ 0.01314 0.43959 14.0127
36 2R75 01G 0.00000007452 0.40255 14.7929
37 2TPI ILE VAL 0.04397 0.40937 25.8621
38 3AVR OGA 0.03492 0.43632 27.2727
39 2ART LPA AMP 0.001612 0.43361 27.972
40 1I7M CG 0.009677 0.46252 28.3582
Pocket No.: 3; Query (leader) PDB : 5LXT; Ligand: ACP; Similar sites found: 225
This union binding pocket(no: 3) in the query (biounit: 5lxt.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3I0O ADP 0.0007281 0.47289 3.4965
2 2PUL ACP 0.0002729 0.42941 3.4965
3 5MY8 RXZ 0.002518 0.41778 4.1958
4 4EUU BX7 0.007197 0.40029 4.1958
5 4DHL 0K7 0.02042 0.40812 4.22535
6 5TO8 7FM 0.01104 0.4058 4.25532
7 1RE8 BD2 0.0008125 0.46214 4.28571
8 3KN5 ANP 0.0007276 0.40371 4.30769
9 2GU8 796 0.001745 0.4546 4.45104
10 1U59 STU 0.006453 0.41054 4.52962
11 1ZY5 ANP 0.001066 0.40954 4.6875
12 4JR7 GNP 0.0001008 0.44993 4.81283
13 4UWH JXM 0.0005209 0.41724 4.87805
14 3ORK AGS 0.001515 0.42696 4.8951
15 3VOT ADP 0.000006087 0.47576 5.17647
16 3LXK MI1 0.002125 0.42404 5.19878
17 4AUA 4AU 0.001018 0.40954 5.21173
18 2YAK OSV 0.003304 0.41887 5.26316
19 5DA3 58V 0.0173 0.40538 5.28302
20 3EKK GS2 0.005022 0.41861 5.53746
21 2VQD AP2 0.00001781 0.4935 5.59441
22 2IF8 ADP 0.000002758 0.46576 5.59441
23 4CLI 5P8 0.01384 0.40532 5.59441
24 3UDZ ADP 0.001938 0.40523 5.59441
25 4X7Q 3YR 0.001651 0.437 5.61798
26 3LXN MI1 0.001259 0.41885 5.66038
27 4BHN BH9 0.002158 0.40903 5.68862
28 1KJ8 ATP 0.00005055 0.41804 5.72917
29 1KJ8 GAR 0.00005453 0.41295 5.72917
30 4A4X JUP 0.004339 0.4095 5.73477
31 2WQN ADP 0.01036 0.41227 5.80645
32 4OH4 ANP 0.001671 0.40585 6.00601
33 1TQP ATP 0.0003141 0.44508 6.02837
34 1IOW ADP 0.000004123 0.54933 6.29213
35 1IOW PHY 0.000004123 0.54933 6.29213
36 4O4F IHP 0.00004986 0.49057 6.29371
37 4O4F ATP 0.00005585 0.48654 6.29371
38 2QCS ANP 0.0004136 0.45218 6.29371
39 2VZ6 FEF 0.007245 0.41972 6.29371
40 1ZP9 ATP 0.001884 0.40032 6.29371
41 3ETH ATP 0.000007928 0.5114 6.47887
42 2V7O DRN 0.0003797 0.40304 6.54762
43 2AQX ATP 0.000006587 0.51474 6.57439
44 3X01 AMP 0.00002922 0.56 6.99301
45 4LH7 1X8 0.0002694 0.50956 6.99301
46 4GYI ADP 0.000175 0.49703 6.99301
47 1IA9 ANP 0.001252 0.43821 6.99301
48 1CM8 ANP 0.0004499 0.42115 6.99301
49 3GC8 B45 0.002308 0.41932 6.99301
50 1UNH IXM 0.001026 0.40166 6.99301
51 5UOX 8GY 0.002102 0.41333 7.01107
52 5A6N U7E 0.001485 0.41322 7.19101
53 5IQD GNP 0.002326 0.43316 7.21311
54 5IQD RIO 0.002474 0.43316 7.21311
55 4QTB 38Z 0.005163 0.40925 7.36842
56 5HX8 66P 0.0008009 0.44019 7.61589
57 2IO8 ADP 0.00000162 0.54805 7.69231
58 2VPQ ANP 0.000003659 0.53101 7.69231
59 1M0W ANP 0.000002013 0.50124 7.69231
60 5W2I I3P 0.00002446 0.49932 7.69231
61 5W2I ADP 0.00002446 0.49932 7.69231
62 2PVN P63 0.0008632 0.44207 7.69231
63 2YAB AMP 0.002607 0.40603 7.69231
64 4OTH DRN 0.003345 0.40603 7.69231
65 4IZY 1J2 0.00601 0.40506 7.69231
66 3KYQ DPV 0.03169 0.40008 7.69231
67 4CRL C1I 0.007826 0.40675 7.7193
68 4H3Q ANP 0.0009819 0.43118 7.73481
69 2CSN CKI 0.02689 0.40164 7.74411
70 2Q7D ANP 0.0000002607 0.58589 7.80347
71 4KBA 1QM 0.005689 0.43381 7.85498
72 5AIG VPR 0.005818 0.43332 8
73 4WHZ 3NL 0.008166 0.41915 8.05195
74 3QCQ 3Q0 0.03159 0.41127 8.07292
75 4OFG PCG 0.002368 0.44297 8.33333
76 2ZV2 609 0.001769 0.45401 8.38926
77 2YW2 ATP 0.00003518 0.50063 8.39161
78 5TDF ADP 0.0006918 0.42734 8.39161
79 4YLL 4E3 0.001329 0.42579 8.39161
80 4KS7 X4Z 0.00196 0.41884 8.39161
81 4CYI ATP 0.002961 0.40509 8.39161
82 1OUK 084 0.02151 0.42517 8.46994
83 2PZI AXX 0.0006177 0.47087 8.59375
84 4NZN ANP 0.0000005847 0.44728 8.78788
85 4NZN 2OU 0.0000005847 0.44728 8.78788
86 4H3P ANP 0.0009266 0.41514 8.83978
87 5BVE 4VG 0.001552 0.46095 8.86427
88 2JLD AG1 0.001529 0.43725 9.09091
89 4ANW O92 0.002179 0.42933 9.09091
90 3TKI S25 0.009049 0.42043 9.09091
91 2HY0 306 0.00807 0.41747 9.09091
92 3SXF BK5 0.008196 0.40707 9.09091
93 3F7Z 34O 0.001733 0.40601 9.09091
94 4F4P 0SB 0.02345 0.40507 9.15751
95 5T8O 76Z 0.004266 0.41145 9.16905
96 4Y0X ADP 0.000126 0.43533 9.6
97 4GJ3 0XP 0.004885 0.413 9.60265
98 4E1Z 0MX 0.001917 0.41924 9.62199
99 2V58 LZJ 0.00004641 0.51637 9.79021
100 5MW8 ATP 0.0001956 0.46 9.79021
101 5HVJ ANP 0.00411 0.44668 9.79021
102 2R5T ANP 0.001754 0.42432 9.79021
103 3PVW QRX 0.0009381 0.41618 9.79021
104 3OFM 4B0 0.0004064 0.41204 9.79021
105 4TWP AXI 0.01068 0.41127 9.79021
106 1PHK ATP 0.002216 0.40464 9.79021
107 4FG8 ATP 0.003641 0.40459 9.79021
108 2WPB ZZI 0.02779 0.40307 9.79021
109 5VC5 96M 0.007162 0.40184 9.79021
110 5C1P DAL DAL 0.000003509 0.53649 9.80392
111 5C1P ADP 0.0000002508 0.52725 9.80392
112 4OCJ NDG 0.001308 0.44524 10.0264
113 4YMJ 4EJ 0.0006224 0.49121 10.1562
114 4QMN DB8 0.003396 0.42483 10.3226
115 3V4S ADP 0.0000117 0.53143 10.4895
116 3V4S ATP 0.000002731 0.52998 10.4895
117 1W2D ADP 0.0001023 0.51462 10.4895
118 1W2D 4IP 0.0001477 0.43686 10.4895
119 3SHR CMP 0.004325 0.43498 10.4895
120 3DLS ADP 0.0001289 0.43311 10.4895
121 4YZN 4K5 0.001923 0.41918 10.4895
122 2X4Z X4Z 0.00523 0.41551 10.4895
123 4BWL MN9 0.02166 0.41072 10.4895
124 3IDB ANP 0.0004562 0.44487 10.559
125 4WTV ATP 0.01082 0.40047 10.6771
126 3AKK ADP 0.0002113 0.44396 10.7692
127 4WNP 3RJ 0.001705 0.40207 10.8014
128 1TZD ADP 0.00001614 0.40419 10.9375
129 1V0O INR 0.004185 0.41529 11.1111
130 3KAL ADP 0.00002898 0.51122 11.1888
131 2PYW ADP 0.00003754 0.47858 11.1888
132 1EHI ADP 0.00005341 0.46805 11.1888
133 2QK4 ATP 0.0002267 0.413 11.1888
134 3LVW GSH 0.007343 0.41142 11.1888
135 4BFM ANP 0.002489 0.40788 11.1888
136 3WO0 ALA 0.04306 0.4033 11.1888
137 3WO0 ADP 0.04306 0.4033 11.1888
138 4RW3 IPD 0.01056 0.42028 11.2583
139 5UIU 8CG 0.001998 0.43093 11.7647
140 4OCV ANP 0.0009314 0.42175 11.8734
141 3VPC ADP 0.0000002282 0.58724 11.8881
142 5I35 ANP 0.00006821 0.45163 11.8881
143 3TPV ADE 0.002313 0.42656 11.8881
144 3WLV AZA 0.01834 0.41247 11.8881
145 4M69 ANP 0.002705 0.40656 11.8881
146 4BTK DTQ 0.001943 0.40595 11.8881
147 4NFN 2KC 0.001286 0.40089 11.8881
148 5HQ0 LZ9 0.002676 0.40604 12.4542
149 3VPB ADP 0.00000002676 0.6245 12.5
150 4FE2 ADP 0.004319 0.43048 12.549
151 4FE2 AIR 0.02091 0.40131 12.549
152 5IGI GMP 0.01313 0.4004 12.5874
153 5IGI ZIT 0.01388 0.4004 12.5874
154 3RE4 TO1 0.000324 0.4308 13.2867
155 5X8I SQZ 0.002289 0.40142 13.2948
156 4MV1 ADP 0.0001783 0.47583 13.4615
157 3ORQ ADP 0.000002433 0.52589 13.5279
158 4Y8D 49J 0.006404 0.41068 13.5714
159 3PE2 E1B 0.000491 0.4719 13.9466
160 1T36 ADP 0.00007151 0.4859 13.986
161 2JDR L20 0.002317 0.44981 13.986
162 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.002317 0.44981 13.986
163 3MVH WFE 0.000832 0.44428 13.986
164 4XYM A12 0.000683 0.42482 13.986
165 5USZ SKE 0.001818 0.42688 14.5329
166 4WB6 ATP 0.0006804 0.44315 14.6853
167 5DEY 59T 0.008714 0.42117 14.6853
168 4PU5 ANP 0.002069 0.41788 14.6853
169 5DMZ ADP 0.008203 0.40587 14.6853
170 2BKK ADP 0.001508 0.40132 14.6853
171 4KU7 PCG 0.004893 0.42789 15.0327
172 2B9I ADP 0.004508 0.41751 15.3846
173 4F9C 0SX 0.0006211 0.41685 15.3846
174 3E7O 35F 0.004427 0.41614 15.3846
175 3TXO 07U 0.0009421 0.40709 15.3846
176 2WU6 DKI 0.003379 0.4091 16.0105
177 4L3L 5FI 0.00114 0.43849 16.0839
178 4XV1 904 0.005983 0.41178 16.0839
179 4CQE CQE 0.009511 0.4076 16.0839
180 3HAV ATP 0.001156 0.43353 16.7832
181 4WNK 453 0.003568 0.41745 16.7832
182 2YRX AMP 0.00003792 0.41641 16.7832
183 1XJD STU 0.001177 0.41622 16.7832
184 2A19 ANP 0.0005603 0.47846 17.4825
185 2Z7R STU 0.0006563 0.43456 17.4825
186 1VJY 460 0.001969 0.43121 17.4825
187 2CFM AMP 0.011 0.41508 17.4825
188 4U98 ACP 0.00004893 0.51098 18.1818
189 3FHI ANP 0.0005299 0.44768 18.1818
190 4Q5H ANP 0.0006122 0.41889 18.3908
191 3K5I ADP 0.000009569 0.50276 18.8811
192 3K5I AIR 0.0001322 0.48137 18.8811
193 4BCN T9N 0.002675 0.44044 19.5804
194 3E8N VRA 0.002487 0.43947 19.5804
195 3E8N ATP 0.002487 0.43947 19.5804
196 4CFU 2WC 0.003268 0.43187 19.5804
197 2XMY CDK 0.007392 0.43171 19.5804
198 3W0O ADP 0.0001888 0.47159 20.2797
199 3W0O HY0 0.0001888 0.47159 20.2797
200 3V8S 0HD 0.000415 0.42222 20.2797
201 5LI9 ACP 0.002911 0.42219 20.2797
202 3DGY 2GP 0.02641 0.40581 20.6186
203 3G5D 1N1 0.01315 0.41454 21.6783
204 4WB7 ATP 0.0008998 0.44981 23.0769
205 5IH9 6BF 0.002494 0.43064 23.0769
206 1Y57 MPZ 0.002744 0.41282 23.0769
207 4AT3 LTI 0.007526 0.40368 23.0769
208 5N87 N66 0.01178 0.40138 23.0769
209 1GSA ADP 0.001401 0.48601 23.7762
210 1Z2P ACP 0.0000001051 0.48744 24.4755
211 1Z2P I3S 0.0000001051 0.48744 24.4755
212 2FB3 GTP 0.005863 0.40829 24.4755
213 5UKL SIX 0.005141 0.4079 24.4755
214 5LI1 ANP 0.004252 0.40176 25
215 4ZGP ADP 0.00008726 0.45006 30.7692
216 3ZRM ZRM 0.0007295 0.41779 31.25
217 3RI1 3RH 0.002836 0.41722 31.4685
218 5UR1 YY9 0.01488 0.40299 31.4685
219 4N70 2HX 0.001995 0.44666 32.1678
220 3CY2 MB9 0.0004596 0.44474 32.1678
221 5U6C 7YS 0.003966 0.40319 32.8671
222 4NM5 ADP 0.003075 0.41079 33.3333
223 3FP0 FP0 0.007932 0.40313 35.6643
224 3VPD ANP 0.00004923 0.51877 36.2989
225 5VZ0 ADP 0.0000002767 0.54414 39.8601
226 4UX9 ANP 0.0002815 0.46199 50
Pocket No.: 4; Query (leader) PDB : 5LXT; Ligand: 7AK; Similar sites found: 19
This union binding pocket(no: 4) in the query (biounit: 5lxt.bio1) has 79 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LOF 70R 0.004213 0.43773 4.26966
2 3IX9 MTX 0.01067 0.44727 6.84211
3 1GEG GLC 0.02228 0.48613 7.8125
4 4UCC ZKW 0.04803 0.42696 8.15451
5 4EI7 GDP 0.00000006226 0.67927 8.39161
6 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.04764 0.42551 8.57143
7 3IA4 MTX 0.03981 0.42337 8.64198
8 3IA4 NDP 0.02704 0.40227 8.64198
9 3CV2 COA 0.01541 0.46416 9.63542
10 5UC9 MYR 0.03522 0.43666 9.79021
11 1TV5 N8E 0.02098 0.45566 10.3371
12 4XPL ACO 0.03492 0.42047 11.0429
13 2PHT MAN MAN MAN 0.0372 0.43924 11.1111
14 4RW3 TDA 0.01899 0.49387 11.2583
15 1XXR MAN 0.04507 0.42844 11.8012
16 4DXD GDP 0.000001239 0.60699 11.9101
17 4QC6 30N 0.03964 0.40738 12.8492
18 4OAS 2SW 0.01052 0.45465 19.7917
19 4LWU 20U 0.04447 0.42075 20
Pocket No.: 5; Query (leader) PDB : 5LXT; Ligand: GTP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5lxt.bio1) has 65 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5LXT; Ligand: 7AK; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5lxt.bio1) has 73 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5LXT; Ligand: GDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5lxt.bio1) has 74 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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