Receptor
PDB id Resolution Class Description Source Keywords
5zri 1.58 Å EC: 3.-.-.- M. SMEGMATIS ANTIMUTATOR PROTEIN MUTT2 IN COMPLEX WITH 5M-DC MYCOBACTERIUM SMEGMATIS (STRAIN ATCC 7MC(2)155) NUDIX HYDROLASE MUTT ANTIMUTATOR CTP PYROPHOSPHORYLASE CHYDROLASE BASE EXCISION REPAIR
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
9L3 A:201;
 Valid;
 none;
 submit data
306.232 C10 H17 N3 O6 P Cc1c[...
MG A:202;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
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: 9L3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9L3 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 9L3; Similar ligands found: 82
No: Ligand Similarity coefficient
1 TMP 0.9664
2 UMP 0.9600
3 DU 0.9598
4 QBT 0.9582
5 UFP 0.9531
6 C5P 0.9500
7 DA 0.9489
8 U5P 0.9467
9 DCM 0.9462
10 5IU 0.9444
11 AMP 0.9417
12 C 0.9387
13 CAR 0.9384
14 FDM 0.9377
15 PSU 0.9376
16 DUS 0.9373
17 UMC 0.9367
18 UP6 0.9342
19 TKW 0.9339
20 C2R 0.9314
21 5HU 0.9295
22 5FU 0.9289
23 DC 0.9284
24 U 0.9280
25 FNU 0.9278
26 5CM 0.9266
27 NYM 0.9260
28 DOC 0.9255
29 2DT 0.9242
30 IMP 0.9236
31 CH 0.9232
32 BRU 0.9214
33 5BU 0.9205
34 CNU 0.9175
35 D4M 0.9169
36 AMZ 0.9169
37 AIR 0.9166
38 H2U 0.9164
39 PFU 0.9163
40 IRP 0.9157
41 5GP 0.9138
42 NUP 0.9135
43 S5P 0.9134
44 BMP 0.9123
45 D5M 0.9120
46 BMQ 0.9106
47 FMP 0.9100
48 DDN 0.9097
49 FN5 0.9091
50 45A 0.9081
51 DGP 0.9062
52 DG 0.9061
53 NMN 0.9051
54 AS 0.9036
55 U6M 0.9031
56 5HM 0.9014
57 ABM 0.9014
58 IMU 0.9004
59 16B 0.8992
60 NIA 0.8971
61 TXS 0.8966
62 ZAS 0.8964
63 SRA 0.8933
64 6MZ 0.8919
65 G 0.8909
66 RVP 0.8905
67 NCN 0.8890
68 IRN 0.8875
69 8BR 0.8862
70 6OG 0.8852
71 71V 0.8840
72 7D5 0.8809
73 NEC 0.8806
74 DI 0.8791
75 ATM 0.8778
76 MZP 0.8757
77 6CN 0.8743
78 AOC 0.8736
79 VKE 0.8685
80 GAR 0.8637
81 TYD 0.8571
82 A3N 0.8545
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