Receptor
PDB id Resolution Class Description Source Keywords
4TNX 2.31 Å EC: 3.1.5.- STRUCTURE BASIS OF CELLULAR DNTP REGULATION, SAMHD1-GTP-DGTP HOMO SAPIENS SAMHD1 HIV RESTRICTION FACTOR DNTPASE DNTP REGULATION HPATHOGEN INTERACTION
Ref.: STRUCTURAL BASIS OF CELLULAR DNTP REGULATION BY SAM PROC.NATL.ACAD.SCI.USA V. 111 E4305 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DGT C:703;
B:703;
A:701;
D:800;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
507.181 C10 H16 N5 O13 P3 c1nc2...
MG C:702;
C:701;
B:702;
A:703;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
GTP A:702;
C:704;
A:704;
B:701;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
3PO A:705;
 Valid;
 none;
 submit data
257.955 H5 O10 P3 OP(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6XU1 2.2 Å EC: 3.1.5.- CRYSTAL STRUCTURE OF TETRAMERIC HUMAN H215A-SAMHD1 (RESIDUES WITH GTP, DAMPNPP AND MG HOMO SAPIENS TRIPHOSPHOHYDROLASE METALLO-ENZYME BINUCLEAR HD HYDROLAS
Ref.: CRYSTAL STRUCTURES OF SAMHD1 INHIBITOR COMPLEXES RE MECHANISM OF WATER-MEDIATED DNTP HYDROLYSIS. NAT COMMUN V. 11 3165 2020
Members (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4QFX - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
2 6TXF - DZ4 C10 H17 N6 O11 P3 c1nc(c2c(n....
3 6DW4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 6TX0 - DZ4 C10 H17 N6 O11 P3 c1nc(c2c(n....
5 4BZB - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
6 4TO6 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
7 4RXQ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 6DW7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
9 4QFY - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
10 4MZ7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
11 4TNX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
12 4RXP - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
13 4QG4 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
14 4TO4 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
15 6DWD - HDV C11 H17 F N5 O12 P3 Cc1nc(c2c(....
16 6DW5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
17 4ZWG - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
18 4TNZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
19 4RXR - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
20 4RXS - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
21 4TO2 - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
22 6CM2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
23 6DWJ - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
24 6DW3 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
25 4TO3 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
26 6DWK - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
27 4QG0 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
28 4TO0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
29 4QG2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
30 6XU1 Ki = 0.78 uM DZ4 C10 H17 N6 O11 P3 c1nc(c2c(n....
31 4QG1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
32 4TNP - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
33 4QFZ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
70% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4QFX - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
2 6TXF - DZ4 C10 H17 N6 O11 P3 c1nc(c2c(n....
3 6DW4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 6TX0 - DZ4 C10 H17 N6 O11 P3 c1nc(c2c(n....
5 4BZB - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
6 4TO6 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
7 4RXQ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 6DW7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
9 4QFY - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
10 4MZ7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
11 4TNX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
12 4RXP - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
13 4QG4 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
14 4TO4 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
15 6DWD - HDV C11 H17 F N5 O12 P3 Cc1nc(c2c(....
16 6DW5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
17 4ZWG - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
18 4TNZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
19 4RXR - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
20 4RXS - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
21 4TO2 - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
22 6CM2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
23 6DWJ - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
24 6DW3 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
25 4TO3 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
26 6DWK - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
27 4QG0 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
28 4TO0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
29 4QG2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
30 6XU1 Ki = 0.78 uM DZ4 C10 H17 N6 O11 P3 c1nc(c2c(n....
31 4QG1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
32 4TNP - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
33 4QFZ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4QFX - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
2 6TXF - DZ4 C10 H17 N6 O11 P3 c1nc(c2c(n....
3 6DW4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 6TX0 - DZ4 C10 H17 N6 O11 P3 c1nc(c2c(n....
5 4BZB - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
6 4TO6 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
7 4RXQ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 6DW7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
9 4QFY - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
10 4MZ7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
11 4TNX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
12 4RXP - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
13 4QG4 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
14 4TO4 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
15 6DWD - HDV C11 H17 F N5 O12 P3 Cc1nc(c2c(....
16 6DW5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
17 4ZWG - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
18 4TNZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
19 4RXR - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
20 4RXS - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
21 4TO2 - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
22 6CM2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
23 6DWJ - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
24 6DW3 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
25 4TO3 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
26 6DWK - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
27 4QG0 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
28 4TO0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
29 4QG2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
30 6XU1 Ki = 0.78 uM DZ4 C10 H17 N6 O11 P3 c1nc(c2c(n....
31 4QG1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
32 4TNP - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
33 4QFZ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DGT; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 DGT 1 1
2 DGI 0.897436 1
3 DGP 0.775 0.986842
4 DG 0.775 0.986842
5 GH3 0.673913 0.948052
6 GTP 0.659341 0.923077
7 0O2 0.622449 0.935065
8 CGP 0.6 0.914634
9 GP3 0.597826 0.9
10 GDP 0.591398 0.923077
11 GSP 0.561224 0.878049
12 G3D 0.561224 0.935065
13 DTP 0.557895 0.909091
14 HF7 0.556701 0.897436
15 GAV 0.55 0.888889
16 G4P 0.55 0.935065
17 GNH 0.536082 0.911392
18 G1R 0.535354 0.911392
19 G2R 0.533981 0.961538
20 9GM 0.53 0.9
21 GNP 0.53 0.9
22 G 0.521277 0.910256
23 5GP 0.521277 0.910256
24 GCP 0.52 0.924051
25 GPX 0.514563 0.922078
26 GPD 0.513514 0.902439
27 G5P 0.509091 0.9
28 GTG 0.504587 0.86747
29 G2P 0.5 0.936709
30 G3A 0.5 0.9
31 GKE 0.495413 0.888889
32 GDD 0.495413 0.888889
33 GDC 0.495413 0.888889
34 GMV 0.49505 0.9
35 DI 0.494737 0.960526
36 6CK 0.486486 0.86747
37 DAT 0.484536 0.909091
38 Y9Z 0.481818 0.880952
39 GP2 0.48 0.936709
40 JB2 0.477876 0.888889
41 GFB 0.477477 0.888889
42 GDR 0.477477 0.888889
43 QBQ 0.475248 0.910256
44 GPG 0.472222 0.888889
45 2GP 0.46875 0.935065
46 3GP 0.46875 0.897436
47 ALF 5GP 0.466019 0.823529
48 GKD 0.464912 0.888889
49 BGO 0.462185 0.878049
50 8DG 0.461538 0.857143
51 GDP BEF 0.461538 0.864198
52 GDX 0.46087 0.9
53 P2G 0.459184 0.860759
54 GTP MG 0.457143 0.886076
55 MGP 0.456311 0.888889
56 JB3 0.453782 0.878049
57 GDP ALF 0.453704 0.823529
58 6G0 0.451923 0.888889
59 CAG 0.451613 0.818182
60 GMP 0.450549 0.810127
61 P1G 0.45 0.873418
62 NGD 0.45 0.888889
63 YGP 0.446429 0.835294
64 3PD UM3 0.446281 0.86747
65 G1G 0.444444 0.857143
66 GDP AF3 0.440367 0.823529
67 F6G 0.44 0.8375
68 N5P 0.439252 0.75
69 DUT 0.438776 0.7875
70 01G 0.433628 0.903614
71 C1Z 0.432432 0.935065
72 TPG 0.430769 0.782609
73 DCP 0.43 0.848101
74 CF2 0.428571 0.802326
75 GGM 0.427419 0.857143
76 2MD 0.427419 0.827586
77 U2G 0.42623 0.86747
78 CZF 0.423077 0.860759
79 CG2 0.419355 0.86747
80 KB7 0.419048 0.785714
81 MGD 0.417323 0.827586
82 TTP 0.415842 0.759036
83 MD1 0.415385 0.848837
84 PGD 0.415385 0.857143
85 FEG 0.414634 0.858824
86 ZGP 0.41129 0.848837
87 3AT 0.409524 0.871795
88 DDS 0.409524 0.858974
89 DBG 0.409091 0.878049
90 3ZE 0.407767 0.886076
91 6U4 0.407407 0.853659
92 GDP 7MG 0.40678 0.843373
93 GPC 0.40625 0.816092
94 523 0.403846 0.788235
95 SGP 0.401961 0.807229
96 7D4 0.401961 0.814815
97 AGO 0.401575 0.86747
Ligand no: 2; Ligand: GTP; Similar ligands found: 155
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 9GM 0.809524 0.973684
9 GNP 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 GDD 0.741935 0.961039
20 GDC 0.741935 0.961039
21 GKE 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 GDP BEF 0.696629 0.935065
31 JB2 0.693878 0.961039
32 GKD 0.693878 0.961039
33 GTP MG 0.688889 0.96
34 GDX 0.686869 0.973684
35 ALF 5GP 0.685393 0.888889
36 GH3 0.681319 0.973333
37 YGP 0.677083 0.901235
38 G3D 0.67033 0.986486
39 GDP AF3 0.659574 0.888889
40 GDP ALF 0.659574 0.888889
41 DGT 0.659341 0.923077
42 GMP 0.658228 0.88
43 G4P 0.655914 0.986486
44 JB3 0.653846 0.948718
45 NGD 0.647619 0.961039
46 QBQ 0.644444 0.986486
47 CAG 0.642202 0.880952
48 2MD 0.62963 0.891566
49 MGP 0.619565 0.961039
50 U2G 0.616822 0.936709
51 6G0 0.612903 0.961039
52 MGD 0.612613 0.891566
53 KB7 0.608696 0.82716
54 TPG 0.608696 0.840909
55 CG2 0.605505 0.936709
56 GDP 7MG 0.601942 0.911392
57 FEG 0.601852 0.879518
58 ZGP 0.59633 0.869048
59 PGD 0.591304 0.925
60 MD1 0.591304 0.891566
61 3GP 0.590909 0.946667
62 GPX 0.581633 0.946667
63 CZF 0.580645 0.933333
64 DGI 0.580645 0.923077
65 IDP 0.576087 0.972973
66 DBG 0.567797 0.948718
67 KBD 0.564356 0.82716
68 2GP 0.555556 0.96
69 FE9 0.555556 0.776596
70 G4M 0.547619 0.880952
71 BGO 0.544643 0.924051
72 KBJ 0.542857 0.797619
73 HEJ 0.537634 0.92
74 ATP 0.537634 0.92
75 G1G 0.533898 0.925
76 AQP 0.531915 0.92
77 5FA 0.531915 0.92
78 JSQ 0.520833 0.873418
79 HFD 0.520833 0.873418
80 R7I 0.520408 0.946667
81 R5I 0.520408 0.946667
82 01G 0.518868 0.902439
83 I2C FE2 CMO CMO 0.516667 0.808989
84 ITT 0.510638 0.868421
85 P2G 0.510638 0.883117
86 AKW 0.504348 0.890244
87 GGM 0.504274 0.901235
88 G1R G1R 0.504065 0.924051
89 DG 0.5 0.910256
90 DGP 0.5 0.910256
91 PGD O 0.5 0.850575
92 MGO 0.5 0.864198
93 P1G 0.5 0.871795
94 GTA 0.495495 0.936709
95 PRT 0.490741 0.959459
96 AP5 0.489362 0.894737
97 IMP 0.489362 0.959459
98 B4P 0.489362 0.894737
99 7DT 0.484536 0.906667
100 GPC 0.479339 0.879518
101 G C 0.478992 0.9
102 BA3 0.478723 0.894737
103 ADP 0.473684 0.92
104 G2Q 0.471698 0.961039
105 6YZ 0.470588 0.896104
106 G7M 0.46875 0.948052
107 C1Z 0.462963 0.986486
108 25L 0.458716 0.907895
109 A2D 0.457447 0.894737
110 RGT 0.45045 0.909091
111 AGS 0.45 0.873418
112 SGP 0.44898 0.82716
113 A4P 0.445378 0.869048
114 ANP 0.441176 0.896104
115 8GT 0.441176 0.875
116 ACQ 0.441176 0.896104
117 APC G U 0.440945 0.886076
118 AT4 0.438776 0.884615
119 6AD 0.436893 0.841463
120 UP5 0.432203 0.873418
121 35G 0.431373 0.933333
122 C2E 0.431373 0.921053
123 PCG 0.431373 0.933333
124 5GP 5GP 0.427184 0.883117
125 TAT 0.427184 0.884615
126 T99 0.427184 0.884615
127 APR 0.425743 0.894737
128 AR6 0.425743 0.894737
129 AN2 0.424242 0.907895
130 7DD 0.424242 0.906667
131 AD9 0.421569 0.896104
132 7D4 0.42 0.835443
133 M33 0.42 0.883117
134 UCG 0.419847 0.911392
135 HDV 0.419048 0.825
136 H6Y 0.419048 0.946667
137 GZ0 0.416667 0.948718
138 ACP 0.415842 0.896104
139 T5A 0.414634 0.802326
140 A3R 0.412844 0.839506
141 MGQ 0.412844 0.935897
142 A1R 0.412844 0.839506
143 ADQ 0.412844 0.871795
144 HQG 0.411215 0.907895
145 MGT 0.411215 0.823529
146 93A 0.41 0.833333
147 A22 0.407407 0.907895
148 CA0 0.405941 0.896104
149 ATF 0.40566 0.884615
150 M7G A2M G 0.405229 0.808989
151 AGO 0.404762 0.888889
152 NYZ 0.403846 0.935897
153 KG4 0.401961 0.896104
154 MGV 0.401786 0.890244
155 CGP 0.4 0.86747
Ligand no: 3; Ligand: 3PO; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 3PO 1 1
2 6YW 0.764706 1
3 9PI 0.764706 1
4 PPV 0.6 1
5 PIS 0.5 0.84
6 P22 0.44 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: DGT; Similar ligands found: 24
No: Ligand Similarity coefficient
1 HDV 0.9878
2 DZ4 0.9790
3 JSQ 0.9693
4 HFD 0.9578
5 HEJ 0.9531
6 ANP 0.9413
7 AGS 0.9355
8 ATP 0.9177
9 ACP 0.9114
10 ADP BEF 0.9102
11 ADP ALF 0.9081
12 MGT 0.9047
13 HF4 0.9026
14 APC 0.9014
15 ALF ADP 0.8890
16 2KH 0.8809
17 UTP 0.8773
18 8GD 0.8707
19 ADP 0.8685
20 SAM 0.8665
21 8QN 0.8658
22 CTP 0.8611
23 BEF ADP 0.8591
24 IDP 0.8537
Ligand no: 2; Ligand: GTP; Similar ligands found: 41
No: Ligand Similarity coefficient
1 BEF GDP 0.9967
2 ALF GDP 0.9831
3 BEF ADP 0.9768
4 DTP 0.9699
5 8DG 0.9681
6 3AT 0.9677
7 APC 0.9540
8 GDP MG 0.9519
9 ADP BEF 0.9514
10 ADP ALF 0.9503
11 ADP AF3 0.9408
12 ALF ADP 0.9332
13 HF7 0.9242
14 UTP 0.9210
15 DZ4 0.9149
16 CTP 0.9139
17 AMO 0.9072
18 ADP MG 0.9070
19 DSZ 0.8952
20 2KH 0.8870
21 TTP 0.8866
22 6U4 0.8793
23 54H 0.8791
24 VO4 ADP 0.8791
25 EEM 0.8762
26 ATP MG 0.8751
27 SSA 0.8728
28 5AL 0.8707
29 SAM 0.8703
30 KAA 0.8702
31 2TM 0.8697
32 DCP 0.8670
33 DAT 0.8669
34 ADX 0.8660
35 GSU 0.8654
36 SFG 0.8645
37 8X1 0.8616
38 A5A 0.8614
39 D3T 0.8609
40 G5A 0.8580
41 RSN 0.8567
Ligand no: 3; Ligand: 3PO; Similar ligands found: 123
No: Ligand Similarity coefficient
1 PPK 0.9999
2 0CG 0.9314
3 P23 0.9305
4 GVM 0.9272
5 5LD 0.9162
6 DII 0.9156
7 MAH 0.9107
8 FM4 0.9105
9 M44 0.9091
10 43W 0.9070
11 5DL 0.9058
12 HBU 0.9044
13 0CN 0.9036
14 PC 0.9032
15 152 0.9015
16 DEZ 0.9014
17 DER 0.9001
18 IPE 0.8983
19 FLC 0.8981
20 0FA 0.8975
21 SIF 0.8955
22 7UC 0.8940
23 DXP 0.8938
24 LX1 0.8937
25 TPO 0.8929
26 BGT 0.8928
27 E4P 0.8927
28 LUQ 0.8915
29 DI9 0.8903
30 NSB 0.8880
31 210 0.8877
32 TRC 0.8861
33 CIT 0.8858
34 M75 0.8855
35 SG3 0.8851
36 3PG 0.8839
37 CDI 0.8837
38 A5P 0.8834
39 3S4 0.8820
40 MEV 0.8819
41 KPC 0.8817
42 DG2 0.8815
43 RES 0.8810
44 3HG 0.8810
45 ICT 0.8807
46 OSE 0.8806
47 DED 0.8806
48 DZA 0.8798
49 1X4 0.8795
50 6JN 0.8791
51 KMH 0.8788
52 NCD 0.8787
53 MVH 0.8777
54 5RP 0.8775
55 1HS 0.8754
56 TIU 0.8750
57 SEP 0.8748
58 5XB 0.8746
59 TRA 0.8741
60 AVJ 0.8737
61 PEZ 0.8731
62 SSC 0.8725
63 8EW 0.8725
64 0L1 0.8724
65 ATH 0.8716
66 AOS 0.8714
67 3S5 0.8712
68 7A3 0.8706
69 MAJ 0.8704
70 CCB 0.8702
71 2PG 0.8699
72 911 0.8688
73 HPV 0.8687
74 MES 0.8677
75 TX4 0.8677
76 FOM 0.8673
77 GCO 0.8671
78 5ZZ 0.8667
79 KBB 0.8664
80 KVP 0.8660
81 CIR 0.8653
82 IPM 0.8649
83 R1P 0.8648
84 Q07 0.8647
85 EVF 0.8640
86 1AL 0.8640
87 AFS 0.8639
88 SPV 0.8629
89 ENL 0.8628
90 7A2 0.8627
91 CAX 0.8627
92 SVD 0.8621
93 GV9 0.8621
94 AT3 0.8616
95 C5A 0.8615
96 FBV 0.8613
97 FOC 0.8612
98 APG 0.8609
99 13P 0.8606
100 36E 0.8605
101 PDC 0.8603
102 41K 0.8594
103 GLO 0.8593
104 GLY PRO 0.8593
105 9SE 0.8591
106 KDG 0.8589
107 RTK 0.8585
108 PEP 0.8580
109 OMD 0.8580
110 SOR 0.8578
111 PA5 0.8576
112 GLU 0.8574
113 27L 0.8572
114 G3P 0.8570
115 IPR 0.8565
116 AZM 0.8563
117 G3H 0.8563
118 CCE 0.8560
119 JZA 0.8556
120 S7J 0.8554
121 IP8 0.8554
122 REL 0.8540
123 FUD 0.8530
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 6xu1.bio1) has 126 residues
No: Leader PDB Ligand Sequence Similarity
1 2HEK GDP 36.9272
2 2HEK GDP 36.9272
Pocket No.: 2; Query (leader) PDB : 6XU1; Ligand: GTP; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 6xu1.bio1) has 126 residues
No: Leader PDB Ligand Sequence Similarity
1 2HEK GDP 36.9272
2 2HEK GDP 36.9272
Pocket No.: 3; Query (leader) PDB : 6XU1; Ligand: GTP; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 6xu1.bio1) has 126 residues
No: Leader PDB Ligand Sequence Similarity
1 2HEK GDP 36.9272
2 2HEK GDP 36.9272
Pocket No.: 4; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: 2
This union binding pocket(no: 4) in the query (biounit: 6xu1.bio1) has 126 residues
No: Leader PDB Ligand Sequence Similarity
1 2HEK GDP 36.9272
2 2HEK GDP 36.9272
Pocket No.: 5; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6xu1.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6XU1; Ligand: GTP; Similar sites found with APoc: 2
This union binding pocket(no: 6) in the query (biounit: 6xu1.bio1) has 126 residues
No: Leader PDB Ligand Sequence Similarity
1 2HEK GDP 36.9272
2 2HEK GDP 36.9272
Pocket No.: 7; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: 2
This union binding pocket(no: 7) in the query (biounit: 6xu1.bio1) has 126 residues
No: Leader PDB Ligand Sequence Similarity
1 2HEK GDP 36.9272
2 2HEK GDP 36.9272
Pocket No.: 8; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 6xu1.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 6xu1.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: 2
This union binding pocket(no: 10) in the query (biounit: 6xu1.bio1) has 126 residues
No: Leader PDB Ligand Sequence Similarity
1 2HEK GDP 36.9272
2 2HEK GDP 36.9272
Pocket No.: 11; Query (leader) PDB : 6XU1; Ligand: GTP; Similar sites found with APoc: 2
This union binding pocket(no: 11) in the query (biounit: 6xu1.bio1) has 126 residues
No: Leader PDB Ligand Sequence Similarity
1 2HEK GDP 36.9272
2 2HEK GDP 36.9272
Pocket No.: 12; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 6xu1.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 6xu1.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 6xu1.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 6XU1; Ligand: GTP; Similar sites found with APoc: 1
This union binding pocket(no: 15) in the query (biounit: 6xu1.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2HEK GDP 36.9272
Pocket No.: 16; Query (leader) PDB : 6XU1; Ligand: GTP; Similar sites found with APoc: 1
This union binding pocket(no: 16) in the query (biounit: 6xu1.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2HEK GDP 36.9272
Pocket No.: 17; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 6xu1.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 6xu1.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 6XU1; Ligand: GTP; Similar sites found with APoc: 1
This union binding pocket(no: 19) in the query (biounit: 6xu1.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2HEK GDP 36.9272
Pocket No.: 20; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 6xu1.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 6xu1.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 6xu1.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 6XU1; Ligand: DZ4; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 6xu1.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 6XU1; Ligand: GTP; Similar sites found with APoc: 1
This union binding pocket(no: 24) in the query (biounit: 6xu1.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2HEK GDP 36.9272
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