Receptor
PDB id Resolution Class Description Source Keywords
2IMW 2.05 Å EC: 2.7.7.7 MECHANISM OF TEMPLATE-INDEPENDENT NUCLEOTIDE INCORPORATION C BY A TEMPLATE-DEPENDENT DNA POLYMERASE SULFOLOBUS SOLFATARICUS BLUNT END DNA Y-FAMILY POLYMERASE DNA REPLICATION TRANSFERACOMPLEX
Ref.: MECHANISM OF TEMPLATE-INDEPENDENT NUCLEOTIDE INCORP CATALYZED BY A TEMPLATE-DEPENDENT DNA POLYMERASE. J.MOL.BIOL. V. 365 590 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA P:406;
P:407;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
DDS P:401;
 Valid;
 none;
 submit data
475.182 C10 H16 N5 O11 P3 c1nc(...
EDO P:501;
P:502;
P:503;
P:504;
P:505;
P:506;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IMW 2.05 Å EC: 2.7.7.7 MECHANISM OF TEMPLATE-INDEPENDENT NUCLEOTIDE INCORPORATION C BY A TEMPLATE-DEPENDENT DNA POLYMERASE SULFOLOBUS SOLFATARICUS BLUNT END DNA Y-FAMILY POLYMERASE DNA REPLICATION TRANSFERACOMPLEX
Ref.: MECHANISM OF TEMPLATE-INDEPENDENT NUCLEOTIDE INCORP CATALYZED BY A TEMPLATE-DEPENDENT DNA POLYMERASE. J.MOL.BIOL. V. 365 590 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 2IMW - DDS C10 H16 N5 O11 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 2IMW - DDS C10 H16 N5 O11 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 2IMW - DDS C10 H16 N5 O11 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DDS; Similar ligands found: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 DDS 1 1
2 DTP 0.694118 0.944444
3 3AT 0.617977 0.878378
4 DAT 0.609195 0.944444
5 7D4 0.597701 0.891892
6 ATP 0.590909 0.878378
7 HEJ 0.590909 0.878378
8 AQP 0.58427 0.878378
9 5FA 0.58427 0.878378
10 B4P 0.539326 0.853333
11 AP5 0.539326 0.853333
12 CUU 0.538462 0.878378
13 DA 0.528736 0.916667
14 D5M 0.528736 0.916667
15 BA3 0.52809 0.853333
16 ZDA 0.526882 0.826667
17 ADP 0.522222 0.878378
18 7D3 0.516854 0.891892
19 A2D 0.505618 0.853333
20 25L 0.5 0.866667
21 2A5 0.5 0.905405
22 6YZ 0.5 0.855263
23 AT4 0.5 0.844156
24 DZ4 0.494845 0.918919
25 AGS 0.494737 0.833333
26 ATR 0.494737 0.902778
27 3L1 0.487805 0.783784
28 3D1 0.487805 0.783784
29 HF7 0.484848 0.931507
30 T99 0.484536 0.844156
31 TAT 0.484536 0.844156
32 101 0.483146 0.890411
33 PAP 0.479167 0.890411
34 M33 0.478723 0.842105
35 AV2 0.474747 0.878378
36 AS 0.472527 0.868421
37 ACQ 0.469388 0.855263
38 128 0.469027 0.764706
39 APR 0.46875 0.853333
40 AR6 0.46875 0.853333
41 AN2 0.468085 0.866667
42 AD9 0.463918 0.855263
43 ACP 0.458333 0.855263
44 A 0.455556 0.851351
45 AMP 0.455556 0.851351
46 103 0.455556 0.8
47 7D5 0.454545 0.864865
48 ANP 0.454545 0.855263
49 A3R 0.451923 0.87013
50 A2R 0.45098 0.866667
51 HQG 0.45098 0.866667
52 ADX 0.447917 0.771084
53 A22 0.446602 0.866667
54 NA7 0.443396 0.893333
55 5F1 0.44186 0.743243
56 45A 0.44086 0.805195
57 ABM 0.44086 0.805195
58 APC 0.438776 0.868421
59 ADQ 0.438095 0.831169
60 A1R 0.438095 0.87013
61 KF5 0.433735 0.676056
62 G5P 0.433628 0.8125
63 ITT 0.43299 0.826667
64 CA0 0.43299 0.831169
65 A3P 0.431579 0.876712
66 A2P 0.431579 0.888889
67 HDV 0.431373 0.855263
68 ATF 0.431373 0.844156
69 JSQ 0.43 0.833333
70 HFD 0.43 0.833333
71 KG4 0.428571 0.831169
72 50T 0.428571 0.842105
73 G3A 0.424779 0.8125
74 PRX 0.424242 0.831169
75 3OD 0.422018 0.831169
76 PPS 0.421569 0.792683
77 8LE 0.421569 0.7875
78 JNT 0.420561 0.855263
79 AMP MG 0.419355 0.813333
80 OVE 0.419355 0.842105
81 AU1 0.418367 0.855263
82 2AM 0.417582 0.876712
83 AP2 0.416667 0.868421
84 9X8 0.416667 0.810127
85 A12 0.416667 0.868421
86 OAD 0.416667 0.831169
87 T5A 0.413223 0.807229
88 3AM 0.413043 0.837838
89 CPA 0.411765 0.814815
90 DGT 0.409524 0.858974
91 A4P 0.408333 0.767442
92 ADP BEF 0.408163 0.826667
93 ADP MG 0.408163 0.826667
94 5AL 0.407767 0.818182
95 UP5 0.40678 0.810127
96 NAX 0.40678 0.814815
97 APC MG 0.405941 0.828947
98 GGZ 0.40566 0.790123
99 GTA 0.405172 0.783133
100 SRA 0.404255 0.807692
101 OZV 0.401869 0.853333
102 8QN 0.401869 0.818182
103 GH3 0.401869 0.810127
104 25A 0.401869 0.853333
105 12D 0.401709 0.77381
106 NPW 0.401639 0.82716
107 PR8 0.4 0.8375
108 SRP 0.4 0.820513
109 8LH 0.4 0.797468
Similar Ligands (3D)
Ligand no: 1; Ligand: DDS; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IMW; Ligand: DDS; 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: 2imw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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