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 (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UPU - U5P C9 H13 N2 O9 P C1=CN(C(=O....
2 1UPF Ki = 25 uM URF C4 H3 F N2 O2 C1=C(C(=O)....
3 1BD4 - URA C4 H4 N2 O2 C1=CNC(=O)....
4 1XTT - U5P C9 H13 N2 O9 P C1=CN(C(=O....
5 1O5O - U5P C9 H13 N2 O9 P C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: U5P; Similar ligands found: 126
No: Ligand ECFP6 Tc MDL keys Tc
1 U5P 1 1
2 U 1 1
3 44P 0.790323 0.941176
4 UDP 0.78125 0.984615
5 UTP 0.746269 0.984615
6 2KH 0.735294 0.955224
7 U5F 0.735294 0.984615
8 UDP UDP 0.727273 0.953846
9 UPU 0.694444 0.954545
10 UNP 0.690141 0.955224
11 660 0.662338 0.913043
12 URM 0.662338 0.913043
13 URI 0.661017 0.848485
14 UFM 0.641026 0.926471
15 GDU 0.641026 0.926471
16 GUD 0.641026 0.926471
17 UPG 0.641026 0.926471
18 U2F 0.6375 0.875
19 UPF 0.6375 0.875
20 Y6W 0.632911 0.875
21 UPP 0.628205 0.926471
22 UDH 0.628205 0.851351
23 UFG 0.617284 0.875
24 CJB 0.603175 0.80597
25 UDX 0.597561 0.926471
26 UAD 0.597561 0.926471
27 3UC 0.588235 0.875
28 U U 0.585366 0.969697
29 UGA 0.583333 0.940298
30 UGB 0.583333 0.940298
31 USQ 0.583333 0.807692
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 CAR 0.571429 0.941176
37 C 0.571429 0.941176
38 C5P 0.571429 0.941176
39 UDM 0.568182 0.9
40 5BU 0.56338 0.927536
41 U4S 0.557143 0.763889
42 UD2 0.555556 0.913043
43 UD1 0.555556 0.913043
44 CSQ 0.550562 0.863014
45 CSV 0.550562 0.863014
46 U2S 0.541667 0.777778
47 U3S 0.541667 0.763889
48 CNU 0.540541 0.941176
49 S5P 0.535211 0.901408
50 16B 0.534247 0.901408
51 U2P 0.528571 0.939394
52 UMP 0.527778 0.911765
53 DU 0.527778 0.911765
54 UD7 0.526882 0.913043
55 HP7 0.526882 0.926471
56 MJZ 0.521277 0.9
57 UP6 0.521127 0.884058
58 F5G 0.515789 0.913043
59 F5P 0.515789 0.9
60 12V 0.515789 0.887324
61 UD4 0.515789 0.9
62 HWU 0.515789 0.887324
63 BMP 0.513889 0.955224
64 UP5 0.510204 0.84
65 DKX 0.507246 0.732394
66 NUP 0.506849 0.927536
67 U6M 0.506849 0.969697
68 LSU 0.505882 0.746988
69 IUG 0.505155 0.797468
70 U1S 0.5 0.76
71 4TC 0.5 0.818182
72 EPZ 0.5 0.9
73 JW5 0.5 0.955224
74 EEB 0.49505 0.887324
75 EPU 0.49505 0.887324
76 A U 0.49505 0.815789
77 UDZ 0.494949 0.84
78 H2U 0.486111 0.911765
79 YSU 0.483516 0.756098
80 6AU 0.480519 0.969697
81 6CN 0.480519 0.941176
82 OMP 0.480519 0.969697
83 TKW 0.48 0.927536
84 UMF 0.479452 0.869565
85 UUA 0.477612 0.757576
86 U U U U 0.476744 0.954545
87 BMQ 0.472222 0.939394
88 PUP 0.47191 0.926471
89 G U 0.471154 0.797468
90 5HM 0.467532 0.888889
91 O7E 0.463415 0.941176
92 ICR 0.460526 0.830986
93 UMA 0.458716 0.9
94 O7M 0.45679 0.941176
95 UC5 0.455696 0.885714
96 UTP U U U 0.454545 0.909091
97 CDP 0.45 0.927536
98 2TU 0.449275 0.760563
99 FNU 0.441558 0.876712
100 2TM 0.440476 0.888889
101 2QR 0.439655 0.810127
102 N3E 0.4375 0.743243
103 DUD 0.4375 0.898551
104 2OM 0.435897 0.925373
105 U21 0.434783 0.797468
106 U22 0.434783 0.777778
107 U20 0.434783 0.797468
108 CTP 0.433735 0.927536
109 HF4 0.433735 0.927536
110 DUT 0.433735 0.898551
111 8OP 0.428571 0.849315
112 8GM 0.421687 0.853333
113 5GW 0.420455 0.927536
114 U A A U 0.418803 0.853333
115 4RA 0.414634 0.842105
116 0RC 0.413793 0.851351
117 DUP 0.411765 0.873239
118 DUN 0.409639 0.873239
119 UD0 0.408 0.831169
120 UM3 0.407895 0.897059
121 UVC 0.407895 0.842857
122 C5G 0.404255 0.875
123 UPA 0.401869 0.828947
124 A U C C 0.401639 0.794872
125 UAG 0.4 0.851351
126 A G U 0.4 0.7875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O5O; Ligand: U5P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1o5o.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1O5O; Ligand: U5P; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1O5O; Ligand: U5P; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1O5O; Ligand: U5P; Similar sites found with APoc: 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 Sequence Similarity
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