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Receptor
PDB id Resolution Class Description Source Keywords
1QVJ 1.91 Å EC: 3.6.1.13 STRUCTURE OF NUDT9 COMPLEXED WITH RIBOSE-5-PHOSPHATE HOMO SAPIENS NUDIX ADPRASE HYDROLASE
Ref.: THE CRYSTAL STRUCTURE AND MUTATIONAL ANALYSIS OF HU J.MOL.BIOL. V. 332 385 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:560;
A:561;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
RP5 A:554;
Valid;
none;
submit data
230.11 C5 H11 O8 P C([C@...
SO4 A:555;
A:556;
A:557;
A:558;
A:559;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
TRS A:553;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QVJ 1.91 Å EC: 3.6.1.13 STRUCTURE OF NUDT9 COMPLEXED WITH RIBOSE-5-PHOSPHATE HOMO SAPIENS NUDIX ADPRASE HYDROLASE
Ref.: THE CRYSTAL STRUCTURE AND MUTATIONAL ANALYSIS OF HU J.MOL.BIOL. V. 332 385 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1QVJ - RP5 C5 H11 O8 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1QVJ - RP5 C5 H11 O8 P C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1QVJ - RP5 C5 H11 O8 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RP5; Similar ligands found: 43
No: Ligand ECFP6 Tc MDL keys Tc
1 ABF 1 1
2 HSX 1 1
3 RP5 1 1
4 A6P 0.8 0.902439
5 M6P 0.8 0.902439
6 G6P 0.8 0.902439
7 BGP 0.8 0.902439
8 M6D 0.8 0.902439
9 BG6 0.8 0.902439
10 AHG 0.676471 0.880952
11 GLP 0.634146 0.755102
12 4R1 0.634146 0.755102
13 RF5 0.615385 0.883721
14 50A 0.615385 0.883721
15 GRF 0.589744 0.76
16 NNG 0.565217 0.685185
17 16G 0.553191 0.685185
18 4QY 0.553191 0.685185
19 BMX 0.553191 0.685185
20 FDQ 0.547619 0.860465
21 RI2 0.534884 0.95
22 XYT 0.5 0.822222
23 PRP 0.5 0.975
24 G16 0.5 0.860465
25 D6G 0.5 0.860465
26 1FT 0.490909 0.770833
27 N 0.47619 0.860465
28 PPC 0.469388 0.906977
29 T6P 0.469388 0.822222
30 Z6J 0.441176 0.675
31 RIB 0.441176 0.675
32 FUB 0.441176 0.675
33 32O 0.441176 0.675
34 AHR 0.441176 0.675
35 P3M 0.440678 0.822222
36 IRN 0.425926 0.606557
37 FGR 0.410714 0.655172
38 FUB AHR 0.404255 0.690476
39 F6P 0.404255 0.906977
40 TA6 0.404255 0.906977
41 AHR AHR 0.404255 0.690476
42 ALX 0.4 0.880952
43 BNX 0.4 0.880952
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QVJ; Ligand: RP5; Similar sites found with APoc: 98
This union binding pocket(no: 1) in the query (biounit: 1qvj.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4YHQ G10 None
2 2QUN FUD 1.37931
3 6FL8 ADP 1.71233
4 6FL8 TIY 1.71233
5 1PVN MZP 1.71233
6 4X7Q 3YR 1.71233
7 4EI7 GDP 1.71233
8 5BV6 35G 1.97368
9 5WL1 CUY 2.0202
10 5WL1 D3D 2.0202
11 5T8O 76Z 2.05479
12 2VL1 GLY GLY 2.05479
13 1UVC STE 2.1978
14 5ISY NAD 2.3166
15 2ZYI STE 2.39726
16 2YQS UD1 2.39726
17 4BTK DTQ 2.39726
18 4FFG LBS 2.39726
19 4CSD MFU 2.57353
20 4NJH SAM 2.6087
21 4NJH 2K8 2.6087
22 5EO8 TFU 2.73973
23 3MVH WFE 2.73973
24 3PH4 AOS 2.95858
25 2A8Y MTA 2.96296
26 4UDK BMA 3.08219
27 2PYW ADP 3.08219
28 6B9T 2HE 3.08219
29 5DEP UD1 3.10078
30 2BEK ATP 3.11284
31 1NFS DED 3.27869
32 3HEE R5P 3.3557
33 6EJI UD2 3.42466
34 5MW8 ATP 3.42466
35 1EP2 ORO 3.44828
36 4K38 SAM 3.76712
37 2X6T NAP 3.76712
38 1ADO 13P 3.76712
39 2ZFZ ARG 3.79747
40 4E93 GUI 4.10959
41 5BNW 12V 4.10959
42 2VCH UDP 4.10959
43 4GYW UDP 4.10959
44 1Y0G 8PP 4.18848
45 2QZO KN1 4.26357
46 4MG7 27H 4.31373
47 4XVX P33 FDA 4.37018
48 2BIF SIN 4.45205
49 2ZRU FMN 4.79452
50 4QJR PIZ 4.89796
51 1YUC EPH 5.09804
52 1OFD AKG 5.13699
53 4DEC UDP 5.13699
54 4DEC 3PG 5.13699
55 2JLD AG1 5.13699
56 4Y3O OGA 5.82192
57 5BQS 4VN 5.82192
58 6ALW BNV 5.90278
59 5W4W 9WG 6.50685
60 4KBA 1QM 6.50685
61 1Y60 H4M 6.50888
62 5EYP GTP 6.84932
63 1NJJ ORX 6.84932
64 4CCK OGA 7.19178
65 1OFZ FUC 7.19178
66 1OFZ FUL 7.19178
67 4Q5M ROC 7.38916
68 1QD1 FON 7.53425
69 5LXT GTP 7.69231
70 3RYC GTP 7.69231
71 3A6T 8OG 7.75194
72 2I8T GDD 7.78443
73 1Q7B NAP 7.78689
74 5XDT GDP 7.79221
75 1EM6 NBG 7.87671
76 5DEQ ARA 7.89474
77 5Z2L NDP 8.16327
78 4D52 GXL 8.21918
79 4D52 GIV 8.21918
80 1YP0 PEF 8.3682
81 4XB4 45D 8.55263
82 3W8X FTK 8.56164
83 5GG9 8GT 8.90411
84 5Z21 NAI 9.93151
85 1I7M PUT 10.4478
86 5GP0 GPP 11.4094
87 3AKK ADP 11.9863
88 2YVO AMP 12.0879
89 5HZX 2GE 12.5
90 6F7X MFU 13.3333
91 3GZ8 APR 14.1975
92 6EHH 2GE 15.3409
93 5T2Z 017 16.1616
94 5V03 658 16.6667
95 5ODQ 9SB 17.3913
96 5LPG 71V 26.8293
97 4CCN OGA 34.2857
98 1YMT DR9 35.7143
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