Receptor
PDB id Resolution Class Description Source Keywords
3MWL 1.6 Å EC: 3.-.-.- Q28E MUTANT OF HERA N-TERMINAL RECA-LIKE DOMAIN IN COMPLEX W OXOADENOSINE THERMUS THERMOPHILUS RNA HELICASE RIBOSOME BIOGENESIS THERMOPHILIC HYDROLASE
Ref.: CHANGING NUCLEOTIDE SPECIFICITY OF THE DEAD-BOX HEL HERA ABROGATES COMMUNICATION BETWEEN THE Q-MOTIF AN P-LOOP. BIOL.CHEM. V. 392 357 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8OX B:209;
Valid;
none;
Kd = 579 uM
283.241 C10 H13 N5 O5 c1nc(...
SO4 A:208;
A:209;
B:208;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MWL 1.6 Å EC: 3.-.-.- Q28E MUTANT OF HERA N-TERMINAL RECA-LIKE DOMAIN IN COMPLEX W OXOADENOSINE THERMUS THERMOPHILUS RNA HELICASE RIBOSOME BIOGENESIS THERMOPHILIC HYDROLASE
Ref.: CHANGING NUCLEOTIDE SPECIFICITY OF THE DEAD-BOX HEL HERA ABROGATES COMMUNICATION BETWEEN THE Q-MOTIF AN P-LOOP. BIOL.CHEM. V. 392 357 2011
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 3MWL Kd = 579 uM 8OX C10 H13 N5 O5 c1nc(c2c(n....
2 2GXS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 2GXQ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 3MWK - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
5 3NBF - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 3MWL Kd = 579 uM 8OX C10 H13 N5 O5 c1nc(c2c(n....
2 2GXS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 2GXQ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 3MWK - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
5 3NBF - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 4KBF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 3MWL Kd = 579 uM 8OX C10 H13 N5 O5 c1nc(c2c(n....
3 2GXS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 2GXQ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 3MWK - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
6 3NBF - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
7 3IUY - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8OX; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 8OX 1 1
2 8OP 0.728571 0.849315
3 8OD 0.702703 0.863014
4 H6Y 0.675325 0.863014
5 8DD 0.5 0.805195
6 RPP 0.44 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MWL; Ligand: 8OX; Similar sites found: 59
This union binding pocket(no: 1) in the query (biounit: 3mwl.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3E5H GNP 0.02576 0.40773 2.24719
2 4O4K 2PK 0.01456 0.41923 2.41546
3 2BJK NAD 0.02735 0.41725 2.89855
4 4U5X GNP 0.01778 0.40813 3.37079
5 1FEC FAD 0.04768 0.41444 3.38164
6 1NRJ GTP 0.02077 0.40641 3.38164
7 3E70 GDP 0.01572 0.40282 3.38164
8 2DPY ADP 0.002567 0.43368 3.86473
9 1XKV ATP 0.01643 0.40403 3.86473
10 3H4S ADP 0.004916 0.40056 3.86473
11 3TKY SAH 0.02713 0.40042 3.86473
12 4ZBY URA 0.008627 0.41866 4.12371
13 5MZN ADP 0.002195 0.43698 4.34783
14 1VHT BA3 0.01121 0.41238 4.34783
15 2ZPA ADP 0.0157 0.41089 4.34783
16 1GOJ ADP 0.005633 0.42821 4.83092
17 2XT3 ADP 0.004293 0.40307 4.83092
18 3GJ4 GDP 0.01428 0.40258 4.83092
19 3GJ5 GDP 0.01594 0.40022 4.83092
20 3UIE ANP 0.01607 0.40452 5
21 1ORR NAD 0.01206 0.43542 5.31401
22 3LRE ADP 0.006059 0.42403 5.31401
23 2RCU BUJ 0.04704 0.41834 5.31401
24 2EFE GNH 0.01799 0.40409 5.31401
25 2EW1 GNP 0.02456 0.40586 5.47264
26 1O9J NAD 0.02036 0.41968 5.7971
27 5EP2 AZU 0.0195 0.40782 6.28019
28 5T96 79J 0.01309 0.40251 6.28019
29 1W0J ADP BEF 0.02683 0.40066 6.28019
30 1F9V ADP 0.007209 0.40303 6.76329
31 2CBZ ATP 0.008625 0.41871 7.72947
32 1OYY AGS 0.003614 0.43205 8.69565
33 3B9Q MLI 0.003786 0.42384 8.69565
34 4NCN GTP 0.0284 0.40257 8.69565
35 3COB ADP 0.01237 0.40052 8.69565
36 2NCD ADP 0.01024 0.40856 9.66184
37 1KSH GDP 0.01685 0.41108 9.67742
38 1JJ7 ADP 0.006133 0.42578 10.1449
39 5LB3 ADP 0.004926 0.41217 10.1449
40 2BME GNP 0.02592 0.40759 10.2151
41 2IS6 ADP 0.004936 0.42538 10.628
42 4HAT GNP 0.03272 0.40493 10.628
43 3WYF GTP 0.03379 0.40419 10.628
44 5UWT GNP 0.03341 0.40314 10.628
45 5UWI GNP 0.03379 0.40288 10.628
46 3WYG GTP 0.03712 0.40201 10.628
47 1Z0K GTP 0.0213 0.40909 11.0465
48 4ITR GDP 0.01993 0.40559 11.5942
49 3HAZ NAD 0.03833 0.40491 11.5942
50 1YRB GDP 0.02062 0.40109 13.5266
51 3M1I GTP 0.03183 0.40425 16.2304
52 2OBM ADP 0.002931 0.4327 17.3913
53 2XAU ADP 0.01972 0.40004 18.8406
54 2GK6 ADP 0.007527 0.41101 20.7729
55 3P4X ADP 0.005127 0.42193 21.256
56 1Z06 GNP 0.01341 0.4211 23.2804
57 3TBK ANP 0.008999 0.40724 26.087
58 5UWP GNP 0.03446 0.40373 36.8421
59 2ZJ5 ADP 0.002042 0.42872 37.6812
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