Receptor
PDB id Resolution Class Description Source Keywords
1O5O 2.3 Å EC: 2.4.2.9 CRYSTAL STRUCTURE OF URACIL PHOSPHORIBOSYLTRANSFERASE (TM072 THERMOTOGA MARITIMA AT 2.30 A RESOLUTION THERMOTOGA MARITIMA TM0721 URACIL PHOSPHORIBOSYLTRANSFERASE STRUCTURAL GENOMICPSI PROTEIN STRUCTURE INITIATIVE JOINT CENTER FOR STRUCTUGENOMICS TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF URACIL PHOSPHORIBOSYLTRANSFERA (TM0721) FROM THERMOTOGA MARITIMA AT 2.30 A RESOLUT TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:701;
A:705;
A:709;
B:702;
B:706;
C:703;
D:704;
D:708;
D:710;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
U5P A:600;
B:601;
C:602;
D:603;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
324.181 C9 H13 N2 O9 P C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O5O 2.3 Å EC: 2.4.2.9 CRYSTAL STRUCTURE OF URACIL PHOSPHORIBOSYLTRANSFERASE (TM072 THERMOTOGA MARITIMA AT 2.30 A RESOLUTION THERMOTOGA MARITIMA TM0721 URACIL PHOSPHORIBOSYLTRANSFERASE STRUCTURAL GENOMICPSI PROTEIN STRUCTURE INITIATIVE JOINT CENTER FOR STRUCTUGENOMICS TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF URACIL PHOSPHORIBOSYLTRANSFERA (TM0721) FROM THERMOTOGA MARITIMA AT 2.30 A RESOLUT TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1O5O - U5P C9 H13 N2 O9 P C1=CN(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1O5O - U5P C9 H13 N2 O9 P C1=CN(C(=O....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1JLS - URA C4 H4 N2 O2 C1=CNC(=O)....
2 1UPU - U5P C9 H13 N2 O9 P C1=CN(C(=O....
3 1UPF Ki = 25 uM URF C4 H3 F N2 O2 C1=C(C(=O)....
4 1BD4 - URA C4 H4 N2 O2 C1=CNC(=O)....
5 1XTT - U5P C9 H13 N2 O9 P C1=CN(C(=O....
6 1O5O - 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 : 1O5O; Ligand: U5P; Similar sites found: 76
This union binding pocket(no: 1) in the query (biounit: 1o5o.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3F81 STT 0.009861 0.41251 None
2 2PWY SAH 0.001199 0.45893 1.35747
3 3FWN 6PG 0.01112 0.40741 1.35747
4 1T57 FMN 0.01695 0.40199 2.42718
5 1D6S PLP MET 0.003614 0.43419 2.71493
6 1D6S MET PLP 0.00401 0.43372 2.71493
7 3ZEI AWH 0.008683 0.42477 2.71493
8 4C2C ALA ALA ALA 0.008346 0.41148 2.71493
9 4P83 U5P 0.000005032 0.55857 2.74725
10 4KFU ACP 0.03126 0.40138 2.83019
11 1MRH FMC 0.008548 0.41601 3.16742
12 1WPQ 13P 0.01425 0.4143 3.16742
13 4GLW NMN 0.01021 0.40794 3.16742
14 1YC5 NCA 0.02471 0.40107 3.16742
15 4AP9 1PS 0.01364 0.40383 3.48259
16 3LN9 FLC 0.0000931 0.5152 3.59712
17 1WG8 SAM 0.008125 0.42051 3.61991
18 1XKD NAP 0.01314 0.4146 3.61991
19 2X2T GAL NGA 0.007863 0.43656 3.92157
20 3HVJ 705 0.00876 0.43393 4.0724
21 1V6A TRE 0.00962 0.41509 4.0724
22 3OZG SSI 0.000004505 0.5593 4.52489
23 1KPH SAH 0.006099 0.4233 4.52489
24 1Z6Z NAP 0.02762 0.40112 4.96454
25 1PS9 FAD 0.04545 0.40101 4.97738
26 3HRD FAD 0.009715 0.43558 5.42986
27 3W8X FAD 0.01347 0.43095 5.42986
28 2MBR FAD 0.03439 0.41704 5.42986
29 2MBR EPU 0.04554 0.40985 5.42986
30 3GRU AMP 0.01388 0.40772 5.42986
31 3ACC 5GP 0.000004303 0.53187 5.52486
32 3K7S R52 0.0101 0.40338 5.58659
33 2JKY 5GP 0.0001213 0.4757 5.6338
34 4LFL TG6 0.005668 0.41521 5.81395
35 1P18 7HP 0.00001316 0.45104 5.88235
36 1P18 PRP 0.00001316 0.45104 5.88235
37 3VC3 C6P 0.003684 0.4387 5.88235
38 4NAE 1GP 0.01046 0.41526 5.88235
39 1FIQ FAD 0.02212 0.41045 6.33484
40 3QWI CUE 0.04391 0.40262 6.33484
41 5E5U MLI 0.0005744 0.41512 6.78733
42 1DQN IMU 0.00001582 0.54307 6.95652
43 5KBE IPH 0.00857 0.41596 7.69231
44 1PZM 5GP 0.000008214 0.55679 8.05687
45 1B74 DGN 0.008298 0.41114 8.1448
46 2Q2V NAD 0.02995 0.40051 8.1448
47 1HGX 5GP 0.00001363 0.54619 8.19672
48 1LH0 ORO 0.002052 0.41633 8.4507
49 1I1N SAH 0.001283 0.46409 8.59729
50 2PS1 ORO 0.00008795 0.50716 9.04977
51 2PS1 PRP 0.0002407 0.42976 9.04977
52 4D42 W0I 0.03876 0.41085 9.04977
53 4D42 NAP 0.03876 0.41085 9.04977
54 3MB5 SAM 0.0002459 0.40729 9.04977
55 5W8V 9YP 0.0001481 0.41846 9.30233
56 1XHL NDP 0.02441 0.40611 9.76431
57 1DL5 SAH 0.004626 0.43539 9.95475
58 1P4A PCP 0.0002146 0.44613 10.4072
59 1ECC PCP 0.0001453 0.41731 12.2172
60 1ZN7 ADE 0.000003447 0.56628 12.7778
61 1ZN7 HSX 0.000003447 0.56628 12.7778
62 1ZN7 PRP 0.00001093 0.48452 12.7778
63 2FXV 5GP 0.0001901 0.41498 14.433
64 1L1Q 9DA 0.00001683 0.46656 15.0538
65 4PPF FLC 0.01069 0.4239 15.3846
66 1LPD ADE 0.0118 0.40019 15.8371
67 1QK3 5GP 0.00006075 0.41994 16.309
68 4RHY 3QG 0.00003399 0.45842 16.4179
69 3MBI HSX 0.00001567 0.54327 18.552
70 5GVR LMR 0.003141 0.43776 19.457
71 3NTD FAD 0.03004 0.40766 19.457
72 1MZV AMP 0.000001706 0.58062 20.362
73 5JSQ 6MS 0.00000527 0.54968 20.3704
74 1QB7 ADE 0.00001764 0.53299 21.7195
75 2JBH 5GP 0.00001623 0.54254 23.5294
76 4JLS 3ZE 0.00002927 0.54309 25.6579
Pocket No.: 2; Query (leader) PDB : 1O5O; 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: 1o5o.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1O5O; Ligand: U5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1o5o.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1O5O; 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: 1o5o.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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