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 18 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 17 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 17 families.
1 2IMW - DDS C10 H16 N5 O11 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DDS; Similar ligands found: 104
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 HEJ 0.590909 0.878378
7 ATP 0.590909 0.878378
8 5FA 0.58427 0.878378
9 AQP 0.58427 0.878378
10 AP5 0.539326 0.853333
11 B4P 0.539326 0.853333
12 D5M 0.528736 0.916667
13 DA 0.528736 0.916667
14 BA3 0.52809 0.853333
15 ZDA 0.526882 0.826667
16 ADP 0.522222 0.878378
17 7D3 0.516854 0.891892
18 A2D 0.505618 0.853333
19 6YZ 0.5 0.855263
20 2A5 0.5 0.905405
21 25L 0.5 0.866667
22 AT4 0.5 0.844156
23 ATR 0.494737 0.902778
24 AGS 0.494737 0.833333
25 SAP 0.494737 0.833333
26 3D1 0.487805 0.783784
27 3L1 0.487805 0.783784
28 HF7 0.484848 0.931507
29 T99 0.484536 0.844156
30 TAT 0.484536 0.844156
31 101 0.483146 0.890411
32 PAP 0.479167 0.890411
33 M33 0.478723 0.842105
34 AV2 0.474747 0.878378
35 AS 0.472527 0.868421
36 ACQ 0.469388 0.855263
37 128 0.469027 0.764706
38 APR 0.46875 0.853333
39 AR6 0.46875 0.853333
40 AN2 0.468085 0.866667
41 AD9 0.463918 0.855263
42 ACP 0.458333 0.855263
43 103 0.455556 0.8
44 AMP 0.455556 0.851351
45 A 0.455556 0.851351
46 7D5 0.454545 0.864865
47 ANP 0.454545 0.855263
48 A3R 0.451923 0.87013
49 A2R 0.45098 0.866667
50 HQG 0.45098 0.866667
51 ADX 0.447917 0.771084
52 A22 0.446602 0.866667
53 NA7 0.443396 0.893333
54 5F1 0.44186 0.743243
55 ABM 0.44086 0.805195
56 45A 0.44086 0.805195
57 APC 0.438776 0.868421
58 A1R 0.438095 0.87013
59 ADQ 0.438095 0.831169
60 G5P 0.433628 0.8125
61 ITT 0.43299 0.826667
62 CA0 0.43299 0.831169
63 A2P 0.431579 0.888889
64 A3P 0.431579 0.876712
65 ATF 0.431373 0.844156
66 HDV 0.431373 0.855263
67 JSQ 0.43 0.833333
68 HFD 0.43 0.833333
69 50T 0.428571 0.842105
70 KG4 0.428571 0.831169
71 G3A 0.424779 0.8125
72 PRX 0.424242 0.831169
73 3OD 0.422018 0.831169
74 PPS 0.421569 0.792683
75 8LE 0.421569 0.7875
76 OVE 0.419355 0.842105
77 AU1 0.418367 0.855263
78 2AM 0.417582 0.876712
79 AP2 0.416667 0.868421
80 9X8 0.416667 0.810127
81 OAD 0.416667 0.831169
82 A12 0.416667 0.868421
83 T5A 0.413223 0.807229
84 3AM 0.413043 0.837838
85 CPA 0.411765 0.814815
86 DGT 0.409524 0.858974
87 A4P 0.408333 0.767442
88 ADP MG 0.408163 0.826667
89 5AL 0.407767 0.818182
90 NAX 0.40678 0.814815
91 UP5 0.40678 0.810127
92 APC MG 0.405941 0.828947
93 GGZ 0.40566 0.790123
94 GTA 0.405172 0.783133
95 SRA 0.404255 0.807692
96 OZV 0.401869 0.853333
97 8QN 0.401869 0.818182
98 GH3 0.401869 0.810127
99 25A 0.401869 0.853333
100 12D 0.401709 0.77381
101 NPW 0.401639 0.82716
102 SRP 0.4 0.820513
103 8LH 0.4 0.797468
104 PR8 0.4 0.8375
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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