Receptor
PDB id Resolution Class Description Source Keywords
4RXP 2.1 Å EC: 3.1.5.- THE STRUCTURE OF GTP-DATP-BOUND SAMHD1 HOMO SAPIENS HD-DOMAIN HYDROLASE DNTP AND GTP BINDING PHOSPHORYLATION
Ref.: THE MECHANISM OF SUBSTRATE-CONTROLLED ALLOSTERIC RE OF SAMHD1 ACTIVATED BY GTP. ACTA CRYSTALLOGR.,SECT.D V. 71 516 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:802;
A:704;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
DTP B:803;
A:702;
B:804;
A:701;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
491.182 C10 H16 N5 O12 P3 c1nc(...
GTP A:703;
B:801;
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
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: DTP; Similar ligands found: 187
No: Ligand ECFP6 Tc MDL keys Tc
1 DTP 1 1
2 DAT 0.891892 1
3 DA 0.773333 0.971831
4 D5M 0.773333 0.971831
5 DZ4 0.705882 0.972603
6 AS 0.696203 0.92
7 DDS 0.694118 0.944444
8 HF7 0.689655 0.986111
9 3AT 0.655172 0.931507
10 7D4 0.635294 0.893333
11 ATP 0.627907 0.905405
12 HEJ 0.627907 0.905405
13 3D1 0.626667 0.835616
14 3L1 0.626667 0.835616
15 AQP 0.62069 0.905405
16 5FA 0.62069 0.905405
17 CPA 0.584906 0.8625
18 ZDA 0.577778 0.853333
19 B4P 0.574713 0.88
20 AP5 0.574713 0.88
21 CUU 0.573034 0.931507
22 5F1 0.56962 0.794521
23 BA3 0.563218 0.88
24 DGT 0.557895 0.909091
25 ADP 0.556818 0.905405
26 101 0.552941 0.917808
27 7D3 0.551724 0.893333
28 A2D 0.54023 0.88
29 6MA 0.539326 0.931507
30 DOI 0.539326 0.917808
31 2A5 0.532609 0.932432
32 6YZ 0.53125 0.906667
33 25L 0.529412 0.893333
34 PAP 0.526882 0.917808
35 AGS 0.526882 0.858974
36 ATR 0.526882 0.930556
37 T99 0.515789 0.87013
38 TAT 0.515789 0.87013
39 103 0.505747 0.826667
40 AN2 0.5 0.893333
41 AT4 0.5 0.87013
42 APR 0.5 0.88
43 AR6 0.5 0.88
44 ACQ 0.5 0.906667
45 A3R 0.49505 0.921053
46 A1R 0.49505 0.921053
47 AD9 0.494737 0.881579
48 M33 0.494624 0.868421
49 AV2 0.489796 0.88
50 ACP 0.489362 0.906667
51 A 0.488636 0.878378
52 AMP 0.488636 0.878378
53 7D5 0.488372 0.866667
54 T5A 0.486957 0.853659
55 NA7 0.485437 0.945946
56 DGI 0.484536 0.909091
57 ANP 0.484536 0.881579
58 128 0.482143 0.747126
59 HQG 0.48 0.893333
60 A2R 0.48 0.893333
61 CA0 0.478723 0.857143
62 ADX 0.478723 0.795181
63 A22 0.475248 0.893333
64 HDV 0.474747 0.881579
65 JSQ 0.474227 0.858974
66 HFD 0.474227 0.858974
67 KG4 0.473684 0.857143
68 45A 0.472527 0.831169
69 ABM 0.472527 0.831169
70 PRX 0.46875 0.833333
71 APC 0.46875 0.92
72 ADQ 0.466019 0.857143
73 PPS 0.464646 0.817073
74 ITT 0.463158 0.853333
75 6OG 0.463158 0.907895
76 A3P 0.462366 0.90411
77 A2P 0.462366 0.916667
78 ATF 0.46 0.87013
79 50T 0.458333 0.868421
80 N5P 0.456311 0.797468
81 4AD 0.451923 0.883117
82 AMP MG 0.450549 0.84
83 8LE 0.45 0.8125
84 5AL 0.45 0.844156
85 3OD 0.448598 0.857143
86 JNT 0.447619 0.906667
87 A12 0.446809 0.92
88 AP2 0.446809 0.92
89 QA7 0.446602 0.8125
90 G5P 0.446429 0.8375
91 A4P 0.444444 0.790698
92 UP5 0.443478 0.835443
93 OAD 0.443396 0.857143
94 9X8 0.443396 0.835443
95 MDR 0.44186 0.783784
96 SRP 0.441176 0.87013
97 8LH 0.441176 0.822785
98 7DT 0.438776 0.891892
99 ADP BEF 0.4375 0.853333
100 ADP MG 0.4375 0.853333
101 G3A 0.4375 0.8375
102 AP0 0.435897 0.814815
103 NB8 0.435185 0.860759
104 SRA 0.434783 0.833333
105 APC MG 0.434343 0.855263
106 DLL 0.433962 0.844156
107 00A 0.433962 0.802469
108 2AM 0.433333 0.90411
109 AU1 0.43299 0.881579
110 DCP 0.43299 0.831169
111 8LQ 0.432692 0.846154
112 6V0 0.431034 0.814815
113 NAI 0.431034 0.825
114 GTA 0.429825 0.807229
115 3AM 0.428571 0.864865
116 OOB 0.428571 0.844156
117 8QN 0.428571 0.844156
118 OZV 0.428571 0.88
119 5SV 0.428571 0.814815
120 25A 0.428571 0.88
121 9SN 0.427273 0.792683
122 WAQ 0.425926 0.871795
123 PR8 0.425926 0.8625
124 V3L 0.425743 0.88
125 NDP 0.425 0.8375
126 139 0.425 0.8625
127 AMO 0.424528 0.894737
128 PAJ 0.424528 0.804878
129 KMQ 0.423423 0.846154
130 PTJ 0.422018 0.814815
131 FYA 0.422018 0.893333
132 1ZZ 0.422018 0.807229
133 BIS 0.422018 0.848101
134 NZQ 0.421488 0.85
135 ADV 0.42 0.894737
136 ADP PO3 0.42 0.853333
137 ATP MG 0.42 0.853333
138 RBY 0.42 0.894737
139 OVE 0.419355 0.868421
140 MAP 0.419048 0.858974
141 GGZ 0.419048 0.792683
142 TXD 0.418803 0.848101
143 3AD 0.418605 0.77027
144 VO4 ADP 0.417476 0.857143
145 ALF ADP 0.417476 0.790123
146 ANP MG 0.417476 0.844156
147 KF5 0.416667 0.635135
148 3UK 0.416667 0.833333
149 BEF ADP 0.415842 0.831169
150 TXE 0.415254 0.848101
151 0WD 0.414634 0.8375
152 12D 0.413793 0.755814
153 LAD 0.412844 0.85
154 B5V 0.412844 0.822785
155 GAP 0.411765 0.810127
156 2FD 0.411111 0.805195
157 FA5 0.410714 0.87013
158 48N 0.410256 0.8375
159 CNA 0.409836 0.87013
160 TXP 0.409836 0.860759
161 PUA 0.409449 0.897436
162 TXA 0.409091 0.846154
163 ME8 0.409091 0.807229
164 AFH 0.408696 0.82716
165 DGP 0.408163 0.896104
166 SON 0.408163 0.894737
167 DG 0.408163 0.896104
168 V2G 0.407767 0.860759
169 AHX 0.407407 0.860759
170 NAX 0.40678 0.839506
171 DND 0.40678 0.846154
172 NJP 0.406504 0.858974
173 DAL AMP 0.40566 0.820513
174 DQV 0.405172 0.868421
175 7D7 0.404762 0.733333
176 OMR 0.403361 0.819277
177 GH3 0.401869 0.858974
178 LAQ 0.401709 0.807229
179 NPW 0.401639 0.851852
180 ADS THS THS THS 0.401575 0.770115
181 XYA 0.4 0.76
182 RAB 0.4 0.76
183 F6G 0.4 0.797468
184 CL9 0.4 0.805195
185 J4G 0.4 0.883117
186 L3W 0.4 0.846154
187 ADN 0.4 0.76
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
Similar Ligands (3D)
Ligand no: 1; Ligand: DTP; Similar ligands found: 32
No: Ligand Similarity coefficient
1 TTP 0.9873
2 GNP 0.9719
3 GTP 0.9699
4 GSP 0.9655
5 GDP BEF 0.9613
6 BEF GDP 0.9585
7 GCP 0.9553
8 GDP AF3 0.9521
9 DUT 0.9505
10 9GM 0.9499
11 ALF GDP 0.9474
12 GDP ALF 0.9469
13 DBG 0.9381
14 ADP ALF 0.9354
15 UTP 0.9313
16 CTP 0.9261
17 HF4 0.9191
18 ADP AF3 0.9091
19 GDP MG 0.8952
20 MGT 0.8868
21 SSA 0.8856
22 GNH 0.8843
23 GDP 0.8842
24 GTF 0.8819
25 DSZ 0.8793
26 SAM 0.8779
27 Y9Z 0.8743
28 D3T 0.8721
29 2KH 0.8700
30 A5A 0.8669
31 SAH 0.8653
32 IDP 0.8579
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
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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