Receptor
PDB id Resolution Class Description Source Keywords
4P83 2.5 Å NON-ENZYME: OTHER STRUCTURE OF ENGINEERED PYRR PROTEIN (PURPLE PYRR) SYNTHETIC CONSTRUCT RNA BINDING PROTEINS RECONSTRUCTED AMINO ACID SEQUENCE TRANSCRIPTION
Ref.: EVOLUTION OF OLIGOMERIC STATE THROUGH ALLOSTERIC PA THAT MIMIC LIGAND BINDING. SCIENCE V. 346 54346 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
U5P B:201;
A:201;
C:201;
D:201;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
324.181 C9 H13 N2 O9 P C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4P83 2.5 Å NON-ENZYME: OTHER STRUCTURE OF ENGINEERED PYRR PROTEIN (PURPLE PYRR) SYNTHETIC CONSTRUCT RNA BINDING PROTEINS RECONSTRUCTED AMINO ACID SEQUENCE TRANSCRIPTION
Ref.: EVOLUTION OF OLIGOMERIC STATE THROUGH ALLOSTERIC PA THAT MIMIC LIGAND BINDING. SCIENCE V. 346 54346 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4P83 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4P86 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
2 4P83 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4P86 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
2 4P83 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: U5P; Similar ligands found: 120
No: Ligand ECFP6 Tc MDL keys Tc
1 U5P 1 1
2 44P 0.790323 0.941176
3 UDP 0.78125 0.984615
4 UTP 0.746269 0.984615
5 2KH 0.735294 0.955224
6 UDP UDP 0.727273 0.953846
7 UPU 0.694444 0.954545
8 UNP 0.690141 0.955224
9 URM 0.662338 0.913043
10 660 0.662338 0.913043
11 URI 0.661017 0.848485
12 U 0.661017 0.848485
13 UFM 0.641026 0.926471
14 GDU 0.641026 0.926471
15 UPG 0.641026 0.926471
16 GUD 0.641026 0.926471
17 U2F 0.6375 0.875
18 UPF 0.6375 0.875
19 Y6W 0.632911 0.875
20 UDH 0.628205 0.851351
21 UPP 0.628205 0.926471
22 UFG 0.617284 0.875
23 CJB 0.603175 0.80597
24 UDX 0.597561 0.926471
25 UAD 0.597561 0.926471
26 UDP GAL 0.597561 0.898551
27 3UC 0.588235 0.875
28 U U 0.585366 0.969697
29 UGB 0.583333 0.940298
30 USQ 0.583333 0.807692
31 UGA 0.583333 0.940298
32 5FU 0.57971 0.927536
33 G3N 0.576471 0.9
34 U3P 0.573529 0.953846
35 UA3 0.573529 0.953846
36 C 0.571429 0.941176
37 CH 0.571429 0.926471
38 CAR 0.571429 0.941176
39 C5P 0.571429 0.941176
40 UDM 0.568182 0.9
41 5BU 0.56338 0.927536
42 U4S 0.557143 0.763889
43 UD1 0.555556 0.913043
44 UD2 0.555556 0.913043
45 CSQ 0.550562 0.863014
46 CSV 0.550562 0.863014
47 U3S 0.541667 0.763889
48 U2S 0.541667 0.777778
49 CNU 0.540541 0.941176
50 S5P 0.535211 0.901408
51 16B 0.534247 0.901408
52 U2P 0.528571 0.939394
53 DU 0.527778 0.911765
54 UMP 0.527778 0.911765
55 HP7 0.526882 0.926471
56 UD7 0.526882 0.913043
57 MJZ 0.521277 0.9
58 UP6 0.521127 0.884058
59 UD4 0.515789 0.9
60 HWU 0.515789 0.887324
61 12V 0.515789 0.887324
62 BMP 0.513889 0.955224
63 UP5 0.510204 0.84
64 DKX 0.507246 0.732394
65 U6M 0.506849 0.969697
66 NUP 0.506849 0.927536
67 IUG 0.505155 0.797468
68 EPZ 0.5 0.9
69 U1S 0.5 0.76
70 JW5 0.5 0.955224
71 4TC 0.5 0.818182
72 EPU 0.49505 0.887324
73 A U 0.49505 0.815789
74 EEB 0.49505 0.887324
75 UDZ 0.494949 0.84
76 H2U 0.486111 0.911765
77 6AU 0.480519 0.969697
78 OMP 0.480519 0.969697
79 6CN 0.480519 0.941176
80 TKW 0.48 0.927536
81 UMF 0.479452 0.869565
82 UUA 0.477612 0.757576
83 U U U U 0.476744 0.954545
84 BMQ 0.472222 0.939394
85 PUP 0.47191 0.926471
86 5HM 0.467532 0.888889
87 O7E 0.463415 0.941176
88 ICR 0.460526 0.830986
89 UMA 0.458716 0.9
90 O7M 0.45679 0.941176
91 UC5 0.455696 0.885714
92 UTP U U U 0.454545 0.909091
93 CDP 0.45 0.927536
94 2TU 0.449275 0.760563
95 FNU 0.441558 0.876712
96 2QR 0.439655 0.810127
97 N3E 0.4375 0.743243
98 DUD 0.4375 0.898551
99 2OM 0.435897 0.925373
100 U22 0.434783 0.777778
101 U21 0.434783 0.797468
102 U20 0.434783 0.797468
103 DUT 0.433735 0.898551
104 CTP 0.433735 0.927536
105 8OP 0.428571 0.849315
106 8GM 0.421687 0.853333
107 5GW 0.420455 0.927536
108 U A A U 0.418803 0.853333
109 4RA 0.414634 0.842105
110 DUP 0.411765 0.873239
111 DUN 0.409639 0.873239
112 CDP MG 0.409639 0.861111
113 UD0 0.408 0.831169
114 UVC 0.407895 0.842857
115 UM3 0.407895 0.897059
116 C5G 0.404255 0.875
117 UPA 0.401869 0.828947
118 A U C C 0.401639 0.794872
119 A G U 0.4 0.7875
120 UAG 0.4 0.851351
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4P83; Ligand: U5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4p83.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4P83; Ligand: U5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4p83.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4P83; Ligand: U5P; Similar sites found: 121
This union binding pocket(no: 3) in the query (biounit: 4p83.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HVJ 705 0.001784 0.47383 1.64835
2 3ZEI AWH 0.002317 0.45784 1.64835
3 2HNK SAH 0.003352 0.43862 1.64835
4 3G6K FAD 0.02409 0.41004 1.64835
5 3G6K POP 0.02414 0.40768 1.64835
6 1QSR ACO 0.01888 0.40651 1.85185
7 1J0D 5PA 0.007239 0.43017 2.1978
8 1O5O U5P 0.000005032 0.55857 2.74725
9 1I9G SAM 0.007806 0.4207 2.74725
10 2ZBA COA 0.009064 0.40999 2.74725
11 5KVA SAM 0.00065 0.4753 3.2967
12 2Q4W FAD 0.00691 0.44014 3.2967
13 2UUU FAD 0.03091 0.42169 3.2967
14 2UUU PL3 0.03091 0.42169 3.2967
15 1WY7 SAH 0.01349 0.4107 3.2967
16 4R81 FMN 0.01536 0.4046 3.2967
17 3ACC 5GP 0.0000001494 0.61242 3.31492
18 2FXV 5GP 0.000000469 0.63169 3.84615
19 1XCL SAH 0.001351 0.47383 3.84615
20 1N62 FAD 0.002503 0.46735 3.84615
21 1QAN SAH 0.003578 0.43902 3.84615
22 1P1C SAH 0.004972 0.43368 3.84615
23 3VC3 C6P 0.006834 0.42996 3.84615
24 4G6I RS3 0.01063 0.42823 3.84615
25 3K37 BCZ 0.02116 0.41618 3.84615
26 3RWO GDP 0.01779 0.4078 3.84615
27 3OOI SAM 0.01429 0.40614 3.84615
28 3QF7 ANP 0.03386 0.40017 3.84615
29 3MB5 SAM 0.0005761 0.47976 4.3956
30 1DL5 SAH 0.008474 0.42675 4.3956
31 4KCT FDP 0.004039 0.42214 4.3956
32 1I1N SAH 0.01664 0.41339 4.3956
33 2RKV ZBA 0.02695 0.41173 4.3956
34 4JB1 FAD 0.0486 0.4082 4.3956
35 4JB1 NAP 0.04712 0.4082 4.3956
36 3A4T SFG 0.01803 0.40449 4.3956
37 2BEK ATP 0.04326 0.40098 4.3956
38 1UPF URF 0.00005961 0.52609 4.94506
39 3B8X G4M 0.01535 0.42232 4.94506
40 4M37 SAH 0.007407 0.42004 4.94506
41 3ZJ0 ACO 0.0236 0.40167 4.94506
42 2PWY SAH 0.002063 0.4525 5.03876
43 1D6S MET PLP 0.005985 0.42971 5.49451
44 1D6S PLP MET 0.008798 0.41984 5.49451
45 1N4W FAD 0.02635 0.41862 5.49451
46 2Z3Y F2N 0.04048 0.40867 5.49451
47 3NW7 LGV 0.04325 0.40713 5.49451
48 2E1T MLC 0.01696 0.4058 5.49451
49 1U7Z PMT 0.03472 0.40294 5.49451
50 3W8X FAD 0.0005703 0.50724 6.04396
51 3C3Y SAH 0.001185 0.45865 6.04396
52 4POO SAM 0.01705 0.40872 6.04396
53 4REP FAD 0.03665 0.40756 6.04396
54 3PVW QRX 0.02052 0.40612 6.04396
55 3SSO SAH 0.04904 0.40172 6.04396
56 5UKL SIX 0.02771 0.4009 6.04396
57 2GQT FAD 0.01433 0.43902 6.34328
58 3HRD FAD 0.003155 0.46526 6.59341
59 1RM6 FAD 0.01115 0.43562 6.59341
60 3UMV FAD 0.01046 0.42218 6.59341
61 1R18 SAH 0.01182 0.41353 6.59341
62 1RHC F42 ACN 0.02357 0.40821 6.59341
63 5G5G FAD 0.001921 0.4765 7.14286
64 5G5G MCN 0.008455 0.43784 7.14286
65 4AUT FAD 0.02083 0.41953 7.14286
66 2MBR FAD 0.04532 0.41394 7.14286
67 2MBR EPU 0.04611 0.41287 7.14286
68 4JLS 3ZE 0.000004052 0.52217 7.23684
69 3MBI HSX 0.0000004995 0.61153 7.69231
70 1E8G FAD 0.009555 0.441 7.69231
71 1E8G FCR 0.009174 0.441 7.69231
72 1F0X FAD 0.01502 0.42694 7.69231
73 1MZV AMP 0.0000001491 0.62627 8.24176
74 1QB7 ADE 0.0000007668 0.59312 8.24176
75 1LH0 PRP 0.0000507 0.54623 8.24176
76 1LH0 ORO 0.0002243 0.48655 8.24176
77 3S1S SAH 0.002806 0.44592 8.24176
78 4G74 FAD 0.02139 0.41696 8.24176
79 4G74 UQ5 0.03517 0.41507 8.24176
80 5EOB 5QQ 0.0487 0.40956 8.24176
81 1ZMD FAD 0.04856 0.40362 8.24176
82 1ZK7 FAD 0.0156 0.43237 8.79121
83 1J3I UMP 0.007538 0.40696 8.79121
84 4EIL UMP 0.01152 0.40069 8.79121
85 2QQ0 TMP 0.03584 0.40004 8.79121
86 1XTT U5P 0.00001424 0.54354 9.34066
87 1P4A PCP 0.00001247 0.48489 9.34066
88 1EBG PAH 0.003153 0.43609 9.34066
89 2VVL FAD 0.02249 0.42053 9.34066
90 3HQP FDP 0.005321 0.41403 9.34066
91 1JG3 ADN 0.0007367 0.48285 9.89011
92 1T3Q FAD 0.002476 0.46648 9.89011
93 1FFU FAD 0.0007691 0.49148 10.4396
94 4B2D FBP 0.003118 0.43211 10.4396
95 3GRU AMP 0.007985 0.42353 10.4396
96 5MW4 5JU 0.04693 0.40274 10.4396
97 1COY FAD 0.01956 0.42373 10.989
98 4KCF FMN 0.01444 0.4003 10.989
99 4OPC FDA 0.04503 0.43113 12.0879
100 4IP7 FBP 0.004276 0.42557 12.0879
101 3DR4 G4M 0.03247 0.40942 12.0879
102 2BES RES 0.003469 0.42525 13.9535
103 1HGX 5GP 0.00000007013 0.62722 18.1319
104 1DQN IMU 0.000006324 0.54005 18.1319
105 4RHY 3QG 0.000003505 0.48518 18.1319
106 1P18 7HP 0.000000371 0.6367 19.2308
107 1P18 PRP 0.000000371 0.49545 19.2308
108 5W8V 9YP 0.000003498 0.58878 20.8791
109 5JSQ 6MS 0.000006578 0.5342 20.8791
110 1ECC PCP 0.00004918 0.53232 21.4286
111 2JKY 5GP 0.000002409 0.57702 21.5962
112 1QK3 5GP 0.0000008403 0.6217 24.7253
113 2PS1 PRP 0.0000004125 0.6262 25.2747
114 2PS1 ORO 0.0000001494 0.61184 25.2747
115 1ZN7 PRP 0.000000176 0.64102 28.8889
116 1ZN7 HSX 0.00000009205 0.63603 28.8889
117 1ZN7 ADE 0.00000009205 0.63603 28.8889
118 1L1Q 9DA 0.00000002948 0.6817 30.7692
119 3OZG SSI 0.00000002279 0.67661 31.8681
120 1PZM 5GP 0.0000003503 0.61891 32.967
121 2JBH 5GP 0.0000001716 0.60993 33.5165
Pocket No.: 4; Query (leader) PDB : 4P83; Ligand: U5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4p83.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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