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: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 RP5 1 1
2 HSX 1 1
3 ABF 1 1
4 BGP 0.8 0.902439
5 M6D 0.8 0.902439
6 BG6 0.8 0.902439
7 A6P 0.8 0.902439
8 G6P 0.8 0.902439
9 M6P 0.8 0.902439
10 AHG 0.676471 0.880952
11 4R1 0.634146 0.755102
12 GLP 0.634146 0.755102
13 50A 0.615385 0.883721
14 RF5 0.615385 0.883721
15 GRF 0.589744 0.76
16 NNG 0.565217 0.685185
17 4QY 0.553191 0.685185
18 16G 0.553191 0.685185
19 BMX 0.553191 0.685185
20 FDQ 0.547619 0.860465
21 D6G 0.5 0.860465
22 G16 0.5 0.860465
23 PRP 0.5 0.975
24 1FT 0.490909 0.770833
25 N 0.47619 0.860465
26 PPC 0.469388 0.906977
27 T6P 0.469388 0.822222
28 32O 0.441176 0.675
29 RIB 0.441176 0.675
30 Z6J 0.441176 0.675
31 FUB 0.441176 0.675
32 AHR 0.441176 0.675
33 P3M 0.440678 0.822222
34 IRN 0.425926 0.606557
35 FGR 0.410714 0.655172
36 AHR AHR 0.404255 0.690476
37 TA6 0.404255 0.906977
38 F6P 0.404255 0.906977
39 FUB AHR 0.404255 0.690476
40 BNX 0.4 0.880952
41 ALX 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: 39
This union binding pocket(no: 1) in the query (biounit: 1qvj.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BV6 35G 0.01998 0.40735 1.97368
2 1UVC STE 0.01711 0.42113 2.1978
3 5ISY NAD 0.00557 0.42846 2.3166
4 4BTK DTQ 0.02389 0.40056 2.39726
5 4FFG LBS 0.01574 0.4001 2.39726
6 3MVH WFE 0.04288 0.40147 2.73973
7 3PH4 AOS 0.01535 0.4 2.95858
8 4UDK BMA 0.002251 0.4134 3.08219
9 2PYW ADP 0.01648 0.41261 3.08219
10 1NFS DED 0.000843 0.47356 3.27869
11 3HEE R5P 0.01321 0.40371 3.3557
12 5MW8 ATP 0.03258 0.40043 3.42466
13 4K38 SAM 0.0171 0.411 3.76712
14 2X6T NAP 0.04047 0.40523 3.76712
15 5BNW 12V 0.03015 0.41478 4.10959
16 2VCH UDP 0.03201 0.40678 4.10959
17 4GYW UDP 0.04424 0.40416 4.10959
18 1Y0G 8PP 0.03351 0.41997 4.18848
19 2QZO KN1 0.01977 0.40609 4.26357
20 4MG7 27H 0.0185 0.40689 4.31373
21 1YUC EPH 0.0362 0.40363 5.09804
22 1OFD AKG 0.02816 0.41817 5.13699
23 5EYP GTP 0.03563 0.40445 6.84932
24 4CCK OGA 0.00429 0.4118 7.19178
25 3RYC GTP 0.03078 0.4109 7.69231
26 5XDT GDP 0.04088 0.40178 7.79221
27 1EM6 NBG 0.04808 0.41222 7.87671
28 5DEQ ARA 0.001078 0.45933 7.89474
29 1RYA GDP 0.002493 0.46604 8.125
30 4D52 GIV 0.004319 0.41477 8.21918
31 4D52 GXL 0.005506 0.40874 8.21918
32 1YP0 PEF 0.02523 0.40678 8.3682
33 4XB4 45D 0.03603 0.40784 8.55263
34 5GG9 8GT 0.01997 0.40376 8.90411
35 1I7M PUT 0.006893 0.4001 10.4478
36 3AKK ADP 0.0205 0.40561 11.9863
37 2YVO AMP 0.008456 0.43356 12.0879
38 3GZ8 APR 0.0000003252 0.66303 14.1975
39 1YMT DR9 0.03197 0.40815 35.7143
Feedback