Receptor
PDB id Resolution Class Description Source Keywords
5zrk 1.49 Å EC: 3.-.-.- M. SMEGMATIS ANTIMUTATOR PROTEIN MUTT2 IN COMPLEX WITH DCTP MYCOBACTERIUM SMEGMATIS (STRAIN ATCC 7MC(2)155) NUDIX HYDROLASE MUTT ANTIMUTATOR CTP PYROPHOSPHORYLASE DHYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND CATALY MECHANISM OF MYCOBACTERIAL NUCLEOTIDE POOL SANITIZI MUTT2. J.STRUCT.BIOL. V. 204 449 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DCP A:201;
B:201;
 Valid;
Valid;
 none;
none;
 submit data
467.157 C9 H16 N3 O13 P3 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ZRG 1.3 Å EC: 3.-.-.- M. SMEGMATIS ANTIMUTATOR PROTEIN MUTT2 IN COMPLEX WITH DCMP MYCOBACTERIUM SMEGMATIS (STRAIN ATCC 7MC(2)155) NUDIX HYDROLASE MUTT ANTIMUTATOR CTP PYROPHOSPHORYLASE DHYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND CATALY MECHANISM OF MYCOBACTERIAL NUCLEOTIDE POOL SANITIZI MUTT2. J.STRUCT.BIOL. V. 204 449 2018
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 5ZRH - C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 5ZRO - 523 C10 H19 N3 O13 P3 CC1=C(NC(=....
3 5ZRG - DCM C9 H14 N3 O7 P C1[C@@H]([....
4 5ZRL - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
5 5ZRI - 9L3 C10 H17 N3 O6 P Cc1c[n+](c....
6 5ZRK - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 5ZRH - C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 5ZRO - 523 C10 H19 N3 O13 P3 CC1=C(NC(=....
3 5ZRG - DCM C9 H14 N3 O7 P C1[C@@H]([....
4 5ZRL - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
5 5ZRI - 9L3 C10 H17 N3 O6 P Cc1c[n+](c....
6 5ZRK - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 5ZRH - C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 5ZRO - 523 C10 H19 N3 O13 P3 CC1=C(NC(=....
3 5ZRG - DCM C9 H14 N3 O7 P C1[C@@H]([....
4 5ZRL - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
5 5ZRI - 9L3 C10 H17 N3 O6 P Cc1c[n+](c....
6 5ZRK - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DCP; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 DCP 1 1
2 YYY 0.884058 1
3 DC 0.760563 0.985714
4 DCM 0.760563 0.985714
5 0KX 0.708861 0.972222
6 DCP MG 0.646341 0.943662
7 DCT 0.621951 0.971831
8 CTP 0.609756 0.90411
9 DUT 0.609756 0.929577
10 HF4 0.609756 0.90411
11 DCZ 0.605634 0.847222
12 LDC 0.605634 0.847222
13 GTF 0.581395 0.891892
14 TTP 0.55814 0.891892
15 6U4 0.554348 0.921053
16 CDP 0.535714 0.90411
17 DUD 0.52381 0.929577
18 F6G 0.516854 0.905405
19 GCQ 0.511364 0.891892
20 8DG 0.505263 0.875
21 TYD 0.477273 0.891892
22 5CM 0.471264 0.945205
23 CPA 0.468468 0.85
24 DOC 0.464286 0.957747
25 7XL 0.462366 0.88
26 0RC 0.462366 0.881579
27 CXY 0.46 0.88
28 CGP 0.452174 0.841463
29 C2G 0.447917 0.891892
30 C5P 0.447059 0.890411
31 C 0.447059 0.890411
32 CAR 0.447059 0.890411
33 2TM 0.44086 0.918919
34 CDM 0.44 0.858974
35 C5G 0.435644 0.855263
36 8GD 0.43299 0.875
37 DTP 0.43299 0.831169
38 UMP 0.430233 0.915493
39 DU 0.430233 0.915493
40 DGT 0.43 0.848101
41 CDC 0.43 0.77381
42 TLO 0.415842 0.844156
43 DUP 0.414894 0.90411
44 UTP 0.413043 0.849315
45 523 0.412371 0.921053
46 0FX 0.411215 0.835443
47 8DD 0.41 0.835443
48 U5F 0.408602 0.849315
49 HF7 0.405941 0.820513
50 T3F 0.40566 0.835443
51 T3Q 0.40566 0.835443
52 C3P 0.402299 0.876712
53 DDN 0.402299 0.915493
54 C2P 0.402299 0.916667
55 CDP MG 0.402174 0.851351
Similar Ligands (3D)
Ligand no: 1; Ligand: DCP; Similar ligands found: 16
No: Ligand Similarity coefficient
1 HEJ 0.9343
2 DZ4 0.9320
3 2KH 0.9268
4 D3T 0.9176
5 ATP 0.9141
6 AGS 0.9032
7 HDV 0.8991
8 UNP 0.8939
9 APC 0.8885
10 ACP 0.8847
11 ANP 0.8734
12 GTP 0.8670
13 UDP 0.8657
14 ADP BEF 0.8644
15 ALF ADP 0.8568
16 ADP ALF 0.8561
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ZRG; Ligand: DCM; 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: 5zrg.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback