Receptor
PDB id Resolution Class Description Source Keywords
1VQ2 2.2 Å EC: 3.5.4.12 CRYSTAL STRUCTURE OF T4-BACTERIOPHAGE DEOXYCYTIDYLATE DEAMIN MUTANT R115E ENTEROBACTERIA PHAGE T4 HYDROLASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF THE R115E MUTANT OF T4-BACTERIOPHAGE 2'-DEOXYCYTIDYLATE DEAMINASE BIOCHEMISTRY V. 43 13715 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DDN A:308;
 Valid;
 none;
 submit data
310.198 C9 H15 N2 O8 P C1[C@...
ZN A:701;
A:702;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VQ2 2.2 Å EC: 3.5.4.12 CRYSTAL STRUCTURE OF T4-BACTERIOPHAGE DEOXYCYTIDYLATE DEAMIN MUTANT R115E ENTEROBACTERIA PHAGE T4 HYDROLASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF THE R115E MUTANT OF T4-BACTERIOPHAGE 2'-DEOXYCYTIDYLATE DEAMINASE BIOCHEMISTRY V. 43 13715 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VQ2 - DDN C9 H15 N2 O8 P C1[C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VQ2 - DDN C9 H15 N2 O8 P C1[C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VQ2 - DDN C9 H15 N2 O8 P C1[C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DDN; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 DDN 1 1
2 UMP 0.632353 1
3 DU 0.632353 1
4 5IU 0.561644 0.929577
5 UFP 0.555556 0.929577
6 BRU 0.547945 0.929577
7 5HU 0.547945 0.942857
8 TMP 0.547945 0.956522
9 DCM 0.527027 0.928571
10 DC 0.527027 0.928571
11 DUD 0.506494 0.985075
12 UC5 0.506494 0.970588
13 5CM 0.506494 0.890411
14 BVP 0.5 0.942857
15 DUT 0.481481 0.985075
16 DUP 0.47561 0.956522
17 DUN 0.475 0.956522
18 UMC 0.466667 0.941176
19 QBT 0.460526 0.927536
20 DUT MG 0.440476 0.955224
21 TYD 0.439024 0.942857
22 UMP AF3 PO4 0.430233 0.876712
23 YYY 0.421687 0.915493
24 TTP 0.418605 0.942857
25 DUS 0.415584 0.853333
26 8OG 0.406977 0.835443
27 DCP 0.402299 0.915493
28 ZEB 0.4 0.771429
Similar Ligands (3D)
Ligand no: 1; Ligand: DDN; Similar ligands found: 79
No: Ligand Similarity coefficient
1 U 0.9803
2 C5P 0.9698
3 U5P 0.9644
4 C 0.9577
5 H2U 0.9552
6 FDM 0.9551
7 NYM 0.9548
8 CH 0.9543
9 FN5 0.9543
10 UP6 0.9500
11 DOC 0.9465
12 16B 0.9449
13 5BU 0.9402
14 BMP 0.9361
15 CAR 0.9308
16 5FU 0.9278
17 NUP 0.9275
18 PSU 0.9234
19 BMQ 0.9217
20 AMP 0.9211
21 TKW 0.9211
22 AIR 0.9195
23 PFU 0.9165
24 D4M 0.9163
25 2DT 0.9163
26 AMZ 0.9154
27 C2R 0.9124
28 S5P 0.9102
29 9L3 0.9097
30 U6M 0.9083
31 DA 0.9064
32 D5M 0.9063
33 DI 0.9060
34 O7E 0.9043
35 MZP 0.9032
36 IMP 0.9019
37 FNU 0.9014
38 5HM 0.9012
39 T3S 0.9002
40 AS 0.8990
41 U4S 0.8980
42 6CN 0.8968
43 IRN 0.8956
44 ATM 0.8950
45 CNU 0.8950
46 CMP 0.8883
47 GAR 0.8867
48 JW5 0.8857
49 5GP 0.8844
50 71V 0.8843
51 TXS 0.8823
52 8BR 0.8787
53 G 0.8785
54 NMN 0.8782
55 FMP 0.8779
56 DG 0.8731
57 IRP 0.8726
58 RP1 0.8726
59 U2S 0.8723
60 PZB 0.8712
61 SP1 0.8710
62 6MA 0.8696
63 OMP 0.8694
64 MTA 0.8691
65 5QT 0.8685
66 MTM 0.8678
67 6SY 0.8675
68 XMP 0.8664
69 NCN 0.8658
70 8OP 0.8652
71 CDP 0.8643
72 DUR 0.8612
73 AZU 0.8581
74 VIB 0.8575
75 UDP 0.8568
76 STS 0.8563
77 SIJ 0.8537
78 URI 0.8527
79 4X2 0.8524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VQ2; Ligand: DDN; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1vq2.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1P6O HPY 31.677
2 1P6O HPY 31.677
Pocket No.: 2; Query (leader) PDB : 1VQ2; Ligand: DDN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1vq2.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1VQ2; Ligand: DDN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1vq2.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1VQ2; Ligand: DDN; Similar sites found with APoc: 2
This union binding pocket(no: 4) in the query (biounit: 1vq2.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1P6O HPY 31.677
2 1P6O HPY 31.677
Pocket No.: 5; Query (leader) PDB : 1VQ2; Ligand: DDN; 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: 1vq2.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1VQ2; Ligand: DDN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1vq2.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1VQ2; Ligand: DDN; 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: 1vq2.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1VQ2; Ligand: DDN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1vq2.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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