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 16 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 15 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 15 families.
1 2IMW - DDS C10 H16 N5 O11 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DDS; Similar ligands found: 90
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 AQP 0.58427 0.878378
8 5FA 0.58427 0.878378
9 B4P 0.539326 0.853333
10 AP5 0.539326 0.853333
11 DA 0.528736 0.916667
12 D5M 0.528736 0.916667
13 BA3 0.52809 0.853333
14 ZDA 0.526882 0.826667
15 ADP 0.522222 0.878378
16 7D3 0.516854 0.891892
17 A2D 0.505618 0.853333
18 25L 0.5 0.866667
19 2A5 0.5 0.905405
20 SAP 0.494737 0.833333
21 ATR 0.494737 0.902778
22 AGS 0.494737 0.833333
23 3L1 0.487805 0.783784
24 3D1 0.487805 0.783784
25 TAT 0.484536 0.844156
26 101 0.483146 0.890411
27 PAP 0.479167 0.890411
28 M33 0.478723 0.842105
29 AV2 0.474747 0.878378
30 AS 0.472527 0.868421
31 ACQ 0.469388 0.855263
32 128 0.469027 0.764706
33 APR 0.46875 0.853333
34 AR6 0.46875 0.853333
35 AN2 0.468085 0.866667
36 AD9 0.463918 0.855263
37 ACP 0.458333 0.855263
38 103 0.455556 0.8
39 A 0.455556 0.851351
40 AMP 0.455556 0.851351
41 7D5 0.454545 0.864865
42 ANP 0.454545 0.855263
43 A2R 0.45098 0.866667
44 ADX 0.447917 0.771084
45 A22 0.446602 0.866667
46 NA7 0.443396 0.893333
47 5F1 0.44186 0.743243
48 ABM 0.44086 0.805195
49 APC 0.438776 0.868421
50 A1R 0.438095 0.87013
51 ADQ 0.438095 0.831169
52 G5P 0.433628 0.8125
53 ITT 0.43299 0.826667
54 CA0 0.43299 0.831169
55 A2P 0.431579 0.888889
56 A3P 0.431579 0.876712
57 ATF 0.431373 0.844156
58 50T 0.428571 0.842105
59 G3A 0.424779 0.8125
60 PRX 0.424242 0.831169
61 3OD 0.422018 0.831169
62 PPS 0.421569 0.792683
63 OVE 0.419355 0.842105
64 AU1 0.418367 0.855263
65 2AM 0.417582 0.876712
66 OAD 0.416667 0.831169
67 AP2 0.416667 0.868421
68 A12 0.416667 0.868421
69 AMP MG 0.414894 0.782051
70 T5A 0.413223 0.807229
71 3AM 0.413043 0.837838
72 CPA 0.411765 0.814815
73 DGT 0.409524 0.858974
74 A4P 0.408333 0.767442
75 5AL 0.407767 0.818182
76 NAX 0.40678 0.814815
77 UP5 0.40678 0.810127
78 GGZ 0.40566 0.790123
79 GTA 0.405172 0.783133
80 SRA 0.404255 0.807692
81 ADP MG 0.40404 0.794872
82 GH3 0.401869 0.810127
83 25A 0.401869 0.853333
84 8QN 0.401869 0.818182
85 12D 0.401709 0.77381
86 NPW 0.401639 0.82716
87 SRP 0.4 0.820513
88 PR8 0.4 0.8375
89 ADP BEF 0.4 0.775
90 BEF ADP 0.4 0.775
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IMW; Ligand: DDS; Similar sites found: 14
This union binding pocket(no: 1) in the query (biounit: 2imw.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZQO NGA 0.003793 0.43985 None
2 2ILZ GTP 0.01282 0.40493 1.14943
3 4ZVF GAV 0.006077 0.41174 2.90698
4 3NBC LAT 0.01616 0.40739 3.37838
5 2D24 XYS XYS 0.003249 0.45646 3.44828
6 5CK5 GDP 0.01255 0.40539 3.48101
7 2UWN SCR 0.003015 0.46921 3.74332
8 2HHP FLC 0.03122 0.40165 4.31034
9 1QNR MAB 0.006547 0.4208 5.81395
10 2X2T GAL NGA 0.005737 0.41897 5.88235
11 1NU4 MLA 0.003689 0.4506 6.18557
12 1KNM LAT 0.002589 0.45665 6.92308
13 4ZGR NGA GAL 0.006463 0.42949 9.31174
14 3AJ6 NGA 0.01491 0.4089 9.44056
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