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Receptor
PDB id Resolution Class Description Source Keywords
4MZ7 1.8 Å EC: 3.1.5.- STRUCTURAL INSIGHT INTO DGTP-DEPENDENT ACTIVATION OF TETRAME DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE HOMO SAPIENS HD-DOMAIN HYDROLASE DNTP BINDING PHOSPHORYLATION
Ref.: STRUCTURAL INSIGHT INTO DGTP-DEPENDENT ACTIVATION O TETRAMERIC SAMHD1 DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE NAT COMMUN V. 4 2722 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DGT A:704;
A:703;
B:801;
B:804;
A:702;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc2...
MG A:705;
B:802;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
ZN B:803;
A:701;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
DTP B:805;
Valid;
none;
submit data
491.182 C10 H16 N5 O12 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6DWD 1.7 Å EC: 3.1.5.- SAMHD1 BOUND TO CLOFARABINE-TP IN THE CATALYTIC POCKET AND A POCKET HOMO SAPIENS COMPLEX DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE DNUCLEOTIDE ANALOGUE CLOFARABINE-TP HYDROLASE HYDROLASE-HINHIBITOR COMPLEX
Ref.: THE STRUCTURAL BASIS FOR CANCER DRUG INTERACTIONS W CATALYTIC AND ALLOSTERIC SITES OF SAMHD1. PROC. NATL. ACAD. SCI. V. 115 10022 2018 U.S.A.
Members (29)
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 6DW4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 4BZB - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
4 4TO6 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
5 4RXQ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
6 6DW7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
7 4QFY - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
8 4MZ7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
9 4TNX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
10 4RXP - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
11 4QG4 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
12 4TO4 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
13 6DWD - HDV C11 H17 F N5 O12 P3 Cc1nc(c2c(....
14 6DW5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
15 4ZWG - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
16 4TNZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
17 4RXR - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
18 4RXS - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
19 4TO2 - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
20 6DWJ - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
21 6DW3 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
22 4TO3 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
23 6DWK - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
24 4QG0 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
25 4TO0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
26 4QG2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
27 4QG1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
28 4TNP - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
29 4QFZ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
70% Homology Family (29)
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 6DW4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 4BZB - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
4 4TO6 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
5 4RXQ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
6 6DW7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
7 4QFY - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
8 4MZ7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
9 4TNX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
10 4RXP - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
11 4QG4 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
12 4TO4 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
13 6DWD - HDV C11 H17 F N5 O12 P3 Cc1nc(c2c(....
14 6DW5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
15 4ZWG - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
16 4TNZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
17 4RXR - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
18 4RXS - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
19 4TO2 - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
20 6DWJ - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
21 6DW3 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
22 4TO3 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
23 6DWK - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
24 4QG0 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
25 4TO0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
26 4QG2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
27 4QG1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
28 4TNP - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
29 4QFZ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
50% Homology Family (29)
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 6DW4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 4BZB - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
4 4TO6 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
5 4RXQ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
6 6DW7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
7 4QFY - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
8 4MZ7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
9 4TNX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
10 4RXP - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
11 4QG4 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
12 4TO4 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
13 6DWD - HDV C11 H17 F N5 O12 P3 Cc1nc(c2c(....
14 6DW5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
15 4ZWG - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
16 4TNZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
17 4RXR - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
18 4RXS - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
19 4TO2 - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
20 6DWJ - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
21 6DW3 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
22 4TO3 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
23 6DWK - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
24 4QG0 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
25 4TO0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
26 4QG2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
27 4QG1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
28 4TNP - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
29 4QFZ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DGT; Similar ligands found: 100
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 DG DG 0.639175 0.91358
8 0O2 0.622449 0.935065
9 CGP 0.6 0.914634
10 GP3 0.597826 0.9
11 GDP 0.591398 0.923077
12 GSP 0.561224 0.878049
13 G3D 0.561224 0.935065
14 DTP 0.557895 0.909091
15 HF7 0.556701 0.897436
16 G4P 0.55 0.935065
17 GAV 0.55 0.888889
18 DC DG 0.53913 0.891566
19 GNH 0.536082 0.911392
20 G1R 0.535354 0.911392
21 G2R 0.533981 0.961538
22 9GM 0.53 0.9
23 GNP 0.53 0.9
24 5GP 0.521277 0.910256
25 G 0.521277 0.910256
26 GCP 0.52 0.924051
27 GPX 0.514563 0.922078
28 GPD 0.513514 0.902439
29 G5P 0.509091 0.9
30 GTG 0.504587 0.86747
31 G3A 0.5 0.9
32 G2P 0.5 0.936709
33 GDC 0.495413 0.888889
34 GDD 0.495413 0.888889
35 GKE 0.495413 0.888889
36 GMV 0.49505 0.9
37 DI 0.494737 0.960526
38 6CK 0.486486 0.86747
39 DAT 0.484536 0.909091
40 Y9Z 0.481818 0.880952
41 GP2 0.48 0.936709
42 JB2 0.477876 0.888889
43 GFB 0.477477 0.888889
44 GDR 0.477477 0.888889
45 GPG 0.472222 0.888889
46 3GP 0.46875 0.897436
47 2GP 0.46875 0.935065
48 ALF 5GP 0.466019 0.823529
49 GKD 0.464912 0.888889
50 BGO 0.462185 0.878049
51 8DG 0.461538 0.857143
52 GDX 0.46087 0.9
53 P2G 0.459184 0.860759
54 MGP 0.456311 0.888889
55 JB3 0.453782 0.878049
56 GDP ALF 0.453704 0.823529
57 ALF GDP 0.453704 0.823529
58 6G0 0.451923 0.888889
59 CAG 0.451613 0.818182
60 GMP 0.450549 0.810127
61 NGD 0.45 0.888889
62 P1G 0.45 0.873418
63 YGP 0.446429 0.835294
64 3PD UM3 0.446281 0.86747
65 G1G 0.444444 0.857143
66 DG DC 0.44186 0.925926
67 GCP G 0.441441 0.873418
68 GDP AF3 0.440367 0.823529
69 N5P 0.439252 0.75
70 DUT 0.438776 0.7875
71 DG DA DC DG 0.43662 0.880952
72 01G 0.433628 0.903614
73 C1Z 0.432432 0.935065
74 TPG 0.430769 0.782609
75 DCP 0.43 0.848101
76 CF2 0.428571 0.802326
77 2MD 0.427419 0.827586
78 GGM 0.427419 0.857143
79 U2G 0.42623 0.86747
80 CG2 0.419355 0.86747
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 DA DU DG DA 0.414634 0.835294
86 FEG 0.414634 0.858824
87 G G 0.413793 0.876543
88 ZGP 0.41129 0.848837
89 DDS 0.409524 0.858974
90 3AT 0.409524 0.871795
91 DBG 0.409091 0.878049
92 3ZE 0.407767 0.886076
93 6U4 0.407407 0.853659
94 GDP 7MG 0.40678 0.843373
95 GPC 0.40625 0.816092
96 DA DC DG DA 0.402685 0.914634
97 SGP 0.401961 0.807229
98 7D4 0.401961 0.814815
99 AGO 0.401575 0.86747
100 DC DG DA DC 0.401408 0.902439
Ligand no: 2; Ligand: DTP; Similar ligands found: 167
No: Ligand ECFP6 Tc MDL keys Tc
1 DTP 1 1
2 DAT 0.891892 1
3 D5M 0.773333 0.971831
4 DA 0.773333 0.971831
5 AS 0.696203 0.92
6 DDS 0.694118 0.944444
7 HF7 0.689655 0.986111
8 3AT 0.655172 0.931507
9 7D4 0.635294 0.893333
10 ATP 0.627907 0.905405
11 HEJ 0.627907 0.905405
12 3D1 0.626667 0.835616
13 3L1 0.626667 0.835616
14 5FA 0.62069 0.905405
15 AQP 0.62069 0.905405
16 CPA 0.584906 0.8625
17 ZDA 0.577778 0.853333
18 B4P 0.574713 0.88
19 AP5 0.574713 0.88
20 5F1 0.56962 0.794521
21 BA3 0.563218 0.88
22 DGT 0.557895 0.909091
23 ADP 0.556818 0.905405
24 101 0.552941 0.917808
25 7D3 0.551724 0.893333
26 A2D 0.54023 0.88
27 DOI 0.539326 0.917808
28 2A5 0.532609 0.932432
29 6YZ 0.53125 0.906667
30 25L 0.529412 0.893333
31 SAP 0.526882 0.858974
32 PAP 0.526882 0.917808
33 AGS 0.526882 0.858974
34 ATR 0.526882 0.930556
35 TAT 0.515789 0.87013
36 T99 0.515789 0.87013
37 103 0.505747 0.826667
38 AN2 0.5 0.893333
39 AR6 0.5 0.88
40 AT4 0.5 0.87013
41 ACQ 0.5 0.906667
42 APR 0.5 0.88
43 A1R 0.49505 0.921053
44 A3R 0.49505 0.921053
45 AD9 0.494737 0.881579
46 M33 0.494624 0.868421
47 AV2 0.489796 0.88
48 ACP 0.489362 0.906667
49 A 0.488636 0.878378
50 AMP 0.488636 0.878378
51 7D5 0.488372 0.866667
52 T5A 0.486957 0.853659
53 NA7 0.485437 0.945946
54 DGI 0.484536 0.909091
55 ANP 0.484536 0.881579
56 128 0.482143 0.747126
57 A2R 0.48 0.893333
58 ADX 0.478723 0.795181
59 CA0 0.478723 0.857143
60 A22 0.475248 0.893333
61 HDV 0.474747 0.881579
62 HFD 0.474227 0.858974
63 ABM 0.472527 0.831169
64 APC 0.46875 0.92
65 PRX 0.46875 0.833333
66 ADQ 0.466019 0.857143
67 PPS 0.464646 0.817073
68 ITT 0.463158 0.853333
69 6OG 0.463158 0.907895
70 A2P 0.462366 0.916667
71 A3P 0.462366 0.90411
72 DA DT DA DA 0.460317 0.829268
73 ATF 0.46 0.87013
74 50T 0.458333 0.868421
75 N5P 0.456311 0.797468
76 4AD 0.451923 0.883117
77 5AL 0.45 0.844156
78 3OD 0.448598 0.857143
79 A12 0.446809 0.92
80 AP2 0.446809 0.92
81 G5P 0.446429 0.8375
82 A4P 0.444444 0.790698
83 UP5 0.443478 0.835443
84 9X8 0.443396 0.835443
85 OAD 0.443396 0.857143
86 MDR 0.44186 0.783784
87 SRP 0.441176 0.87013
88 7DT 0.438776 0.891892
89 G3A 0.4375 0.8375
90 AP0 0.435897 0.814815
91 NB8 0.435185 0.860759
92 SRA 0.434783 0.833333
93 00A 0.433962 0.802469
94 DLL 0.433962 0.844156
95 2AM 0.433333 0.90411
96 AU1 0.43299 0.881579
97 DCP 0.43299 0.831169
98 6V0 0.431034 0.814815
99 NAI 0.431034 0.825
100 GTA 0.429825 0.807229
101 8QN 0.428571 0.844156
102 25A 0.428571 0.88
103 3AM 0.428571 0.864865
104 5SV 0.428571 0.814815
105 OOB 0.428571 0.844156
106 9SN 0.427273 0.792683
107 PR8 0.425926 0.8625
108 WAQ 0.425926 0.871795
109 V3L 0.425743 0.88
110 NDP 0.425 0.8375
111 139 0.425 0.8625
112 AMO 0.424528 0.894737
113 PAJ 0.424528 0.804878
114 FYA 0.422018 0.893333
115 PTJ 0.422018 0.814815
116 1ZZ 0.422018 0.807229
117 BIS 0.422018 0.848101
118 NZQ 0.421488 0.85
119 ADV 0.42 0.894737
120 ADP PO3 0.42 0.853333
121 RBY 0.42 0.894737
122 OVE 0.419355 0.868421
123 MAP 0.419048 0.858974
124 GGZ 0.419048 0.792683
125 TXD 0.418803 0.848101
126 3AD 0.418605 0.77027
127 ALF ADP 0.417476 0.790123
128 ADP ALF 0.417476 0.790123
129 3UK 0.416667 0.833333
130 TXE 0.415254 0.848101
131 0WD 0.414634 0.8375
132 12D 0.413793 0.755814
133 LAD 0.412844 0.85
134 B5V 0.412844 0.822785
135 GAP 0.411765 0.810127
136 2FD 0.411111 0.805195
137 FA5 0.410714 0.87013
138 YAP 0.410714 0.858974
139 48N 0.410256 0.8375
140 CNA 0.409836 0.87013
141 TXP 0.409836 0.860759
142 PUA 0.409449 0.897436
143 ME8 0.409091 0.807229
144 TXA 0.409091 0.846154
145 AFH 0.408696 0.82716
146 SON 0.408163 0.894737
147 DGP 0.408163 0.896104
148 DG 0.408163 0.896104
149 AHX 0.407407 0.860759
150 DND 0.40678 0.846154
151 NXX 0.40678 0.846154
152 NAX 0.40678 0.839506
153 NJP 0.406504 0.858974
154 DAL AMP 0.40566 0.820513
155 DQV 0.405172 0.868421
156 7D7 0.404762 0.733333
157 OMR 0.403361 0.819277
158 GH3 0.401869 0.858974
159 LAQ 0.401709 0.807229
160 NPW 0.401639 0.851852
161 ADS THS THS THS 0.401575 0.770115
162 XYA 0.4 0.76
163 ADP VO4 0.4 0.844156
164 VO4 ADP 0.4 0.844156
165 CL9 0.4 0.805195
166 RAB 0.4 0.76
167 ADN 0.4 0.76
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6DWD; Ligand: HDV; Similar sites found with APoc: 14
This union binding pocket(no: 1) in the query (biounit: 6dwd.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2JCB ADP 2.5
2 1YVZ JPC 2.90909
3 3GWT 066 4.24929
4 4S1B 2BA 4.5045
5 5BU2 RIB 5.28634
6 4AVV CD 5.39216
7 4AVV GHE 5.39216
8 1XON PIL 6.01719
9 1U3G ADP 11.1111
10 5ZCO CHD 13.6054
11 5Z84 CHD 13.6054
12 5W97 CHD 13.6054
13 4J6W C 19.5122
14 4N6W FLC 39.9123
Pocket No.: 2; Query (leader) PDB : 6DWD; Ligand: HDV; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 6dwd.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
1 1SDW IYT 3.50318
2 3P48 DUP 4.08163
3 1Y2W NAG 4.22535
4 3UEC ALA ARG TPO LYS 4.79452
5 4Z2S NDG 4.92958
6 4Z2S NAG 4.92958
7 2OFE NAG 4.92958
8 2OFD NGA 4.92958
9 1JOC ITP 5.6
10 4TVD BGC 6.72727
11 5N6N SUC 7.91667
12 3QDV NDG 9.09091
13 3QDU CBS CBS 9.09091
14 3QX9 ATP 12.3188
15 5EB3 UEG 13.2075
16 4LRL TTP 21.0417
17 4LRL DGT 21.0417
18 5E6O TRP GLU GLU LEU 22.0339
19 1PVC ILE SER GLU VAL 27.9412
20 2HEK GDP 36.9272
Pocket No.: 3; Query (leader) PDB : 6DWD; Ligand: HDV; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 6dwd.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y91 98J 2.26415
Pocket No.: 4; Query (leader) PDB : 6DWD; Ligand: GTP; Similar sites found with APoc: 16
This union binding pocket(no: 4) in the query (biounit: 6dwd.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y91 98J 2.26415
2 1SDW IYT 3.50318
3 3P48 DUP 4.08163
4 3UEC ALA ARG TPO LYS 4.79452
5 4Z2S NAG 4.92958
6 4Z2S NDG 4.92958
7 2OFE NAG 4.92958
8 2OFD NGA 4.92958
9 1JOC ITP 5.6
10 5N6N SUC 7.91667
11 3QDV NDG 9.09091
12 3QX9 ATP 12.3188
13 4LRL TTP 21.0417
14 4LRL DGT 21.0417
15 1PVC ILE SER GLU VAL 27.9412
16 2HEK GDP 36.9272
Pocket No.: 5; Query (leader) PDB : 6DWD; Ligand: HDV; 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: 6dwd.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6DWD; Ligand: HDV; Similar sites found with APoc: 6
This union binding pocket(no: 6) in the query (biounit: 6dwd.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 6CGN DA 2.54545
2 4UMJ BFQ 3.04054
3 5VRH OLB 3.63985
4 4K10 NI9 6.07735
5 1SWG BTN 7.03125
6 4WH9 3M8 7.65027
Pocket No.: 7; Query (leader) PDB : 6DWD; Ligand: HDV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 6dwd.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 6DWD; Ligand: HDV; Similar sites found with APoc: 3
This union binding pocket(no: 8) in the query (biounit: 6dwd.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1B09 PC 4.36893
2 4I90 CHT 9.90099
3 6FC1 MGP 14.0625
Pocket No.: 9; Query (leader) PDB : 6DWD; Ligand: GTP; Similar sites found with APoc: 5
This union binding pocket(no: 9) in the query (biounit: 6dwd.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
1 1Y2W NAG 4.22535
2 4TVD BGC 6.72727
3 3QDU CBS CBS 9.09091
4 5EB3 UEG 13.2075
5 5E6O TRP GLU GLU LEU 22.0339
Pocket No.: 10; Query (leader) PDB : 6DWD; Ligand: HDV; Similar sites found with APoc: 4
This union binding pocket(no: 10) in the query (biounit: 6dwd.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3LGS SAH 2.24719
2 4WBD CIT 4.06654
3 6D5V FVY 9.58084
4 6D5J FV4 9.58084
Pocket No.: 11; Query (leader) PDB : 6DWD; 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: 11) in the query (biounit: 6dwd.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 6DWD; 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: 12) in the query (biounit: 6dwd.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
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