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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: 95
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 AQP 0.58427 0.878378
9 5FA 0.58427 0.878378
10 AP5 0.539326 0.853333
11 B4P 0.539326 0.853333
12 DA 0.528736 0.916667
13 D5M 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 AT4 0.5 0.844156
22 25L 0.5 0.866667
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 A 0.455556 0.851351
45 AMP 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 ADX 0.447917 0.771084
51 A22 0.446602 0.866667
52 NA7 0.443396 0.893333
53 5F1 0.44186 0.743243
54 ABM 0.44086 0.805195
55 APC 0.438776 0.868421
56 ADQ 0.438095 0.831169
57 A1R 0.438095 0.87013
58 G5P 0.433628 0.8125
59 ITT 0.43299 0.826667
60 CA0 0.43299 0.831169
61 A2P 0.431579 0.888889
62 A3P 0.431579 0.876712
63 HDV 0.431373 0.855263
64 ATF 0.431373 0.844156
65 HFD 0.43 0.833333
66 50T 0.428571 0.842105
67 G3A 0.424779 0.8125
68 PRX 0.424242 0.831169
69 3OD 0.422018 0.831169
70 PPS 0.421569 0.792683
71 OVE 0.419355 0.842105
72 AU1 0.418367 0.855263
73 2AM 0.417582 0.876712
74 A12 0.416667 0.868421
75 AP2 0.416667 0.868421
76 OAD 0.416667 0.831169
77 9X8 0.416667 0.810127
78 T5A 0.413223 0.807229
79 3AM 0.413043 0.837838
80 CPA 0.411765 0.814815
81 DGT 0.409524 0.858974
82 A4P 0.408333 0.767442
83 5AL 0.407767 0.818182
84 NAX 0.40678 0.814815
85 UP5 0.40678 0.810127
86 GGZ 0.40566 0.790123
87 GTA 0.405172 0.783133
88 SRA 0.404255 0.807692
89 25A 0.401869 0.853333
90 GH3 0.401869 0.810127
91 8QN 0.401869 0.818182
92 12D 0.401709 0.77381
93 NPW 0.401639 0.82716
94 PR8 0.4 0.8375
95 SRP 0.4 0.820513
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: 25
This union binding pocket(no: 1) in the query (biounit: 2imw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZQO NGA None
2 2ILZ GTP 1.14943
3 2Z49 AMG 2.58621
4 5L4R CPT 2.89855
5 4ZVF GAV 2.90698
6 4MIB 28M 3.16092
7 3NBC LAT 3.37838
8 3A23 GAL 3.44828
9 2D24 XYS XYS 3.44828
10 5CK5 GDP 3.48101
11 2UWN SCR 3.74332
12 2HHP FLC 4.31034
13 1QNR MAB 5.81395
14 2X2T GAL NGA 5.88235
15 1SIV PSI 6.06061
16 1NU4 MLA 6.18557
17 5KK4 44E 6.25
18 1KNM LAT 6.92308
19 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG 7.8125
20 3NWQ 2NC 8.08081
21 4YKG NAD 8.62069
22 4ZGR NGA GAL 9.31174
23 3AJ6 NGA 9.44056
24 3S43 478 11.1111
25 5JWC FAD 15.2299
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