Receptor
PDB id Resolution Class Description Source Keywords
1XTT 1.8 Å EC: 2.4.2.9 SULFOLOBUS SOLFATARICUS URACIL PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH URIDINE 5'-MONOPHOSPHATE (UMP) SULFOLOBUS SOLFATARICUS TETRAMER TYPE 1 PHOSPHORIBOSYLTRANSFERASE UMP COMPLEX
Ref.: ALLOSTERIC REGULATION AND COMMUNICATION BETWEEN SUBUNITS IN URACIL PHOSPHORIBOSYLTRANSFERASE FROM SULFOLOBUS SOLFATARICUS(,) BIOCHEMISTRY V. 44 883 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY B:2252;
D:4252;
Invalid;
Invalid;
none;
none;
submit data
60.052 C2 H4 O2 CC(=O...
U5P A:1250;
B:2250;
C:3250;
D:4250;
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
1XTT 1.8 Å EC: 2.4.2.9 SULFOLOBUS SOLFATARICUS URACIL PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH URIDINE 5'-MONOPHOSPHATE (UMP) SULFOLOBUS SOLFATARICUS TETRAMER TYPE 1 PHOSPHORIBOSYLTRANSFERASE UMP COMPLEX
Ref.: ALLOSTERIC REGULATION AND COMMUNICATION BETWEEN SUBUNITS IN URACIL PHOSPHORIBOSYLTRANSFERASE FROM SULFOLOBUS SOLFATARICUS(,) BIOCHEMISTRY V. 44 883 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1XTT - 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 1XTT - 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 : 1XTT; 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: 1xtt.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XTT; Ligand: U5P; Similar sites found: 93
This union binding pocket(no: 2) in the query (biounit: 1xtt.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QK3 5GP 0.00006619 0.50913 None
2 2FXV 5GP 0.0004014 0.47121 1.54639
3 1DQN IMU 0.00003756 0.46898 2.31481
4 2PWY SAH 0.0051 0.42054 2.31481
5 2HNK SAH 0.008083 0.40803 2.31481
6 2Z9I GLY ALA THR VAL 0.01444 0.40608 2.31481
7 2GQT FAD 0.03924 0.40574 2.31481
8 4JB1 NAP 0.04355 0.40058 2.31481
9 4JB1 FAD 0.04501 0.40058 2.31481
10 5GVR LMR 0.002516 0.43683 2.77778
11 3HVJ 705 0.01382 0.41667 2.77778
12 3VC3 C6P 0.007471 0.41599 2.77778
13 4PPF FLC 0.01841 0.4146 2.77778
14 1GET NAP 0.04789 0.40971 2.77778
15 1GET FAD 0.04905 0.40808 2.77778
16 2Q4W FAD 0.0257 0.40051 2.77778
17 4POO SAM 0.00813 0.41278 3
18 3MB5 SAM 0.00128 0.44811 3.24074
19 1R18 SAH 0.01152 0.40267 3.24074
20 1PA9 CSN 0.009327 0.40136 3.24074
21 1J0D 5PA 0.00479 0.42644 3.7037
22 3PC3 P1T 0.003719 0.42337 3.7037
23 3ZEI AWH 0.01196 0.41056 3.7037
24 1WG8 SAM 0.009697 0.40924 3.7037
25 4UCI SAM 0.009192 0.40373 3.7037
26 4USF 6UI 0.01297 0.40187 3.7037
27 1P4A PCP 0.0004996 0.44505 4.16667
28 5AVF TAU 0.006673 0.42093 4.16667
29 1I1N SAH 0.007477 0.41882 4.16667
30 1HGX 5GP 0.00003703 0.53119 4.91803
31 1D6S MET PLP 0.008083 0.41134 5.09259
32 1D6S PLP MET 0.00763 0.41086 5.09259
33 2IZ1 RES 0.01154 0.40421 5.09259
34 5T96 79J 0.01792 0.40437 5.55556
35 2BNE U5P 0.01059 0.40268 5.55556
36 1FFU FAD 0.02391 0.40409 6.01852
37 1ZN7 HSX 0.000002912 0.57635 6.11111
38 1ZN7 PRP 0.00002132 0.52015 6.11111
39 1ZN7 ADE 0.000002912 0.51807 6.11111
40 5KVA SAM 0.005563 0.41714 6.47482
41 1V7C HEY 0.00173 0.44857 6.48148
42 4NAE 1GP 0.003878 0.44407 6.48148
43 1N2X SAM 0.007257 0.41349 6.48148
44 3HRD FAD 0.02111 0.41145 6.48148
45 3G6K FAD 0.01999 0.40244 6.48148
46 2WA2 SAM 0.008238 0.4021 6.48148
47 1LH0 PRP 0.001776 0.45367 6.57277
48 1LH0 ORO 0.003521 0.41646 6.57277
49 3ACC 5GP 0.00001748 0.48093 6.62983
50 3ZNN FAD 0.03068 0.41388 6.94444
51 3ZNN 4WL 0.03068 0.41388 6.94444
52 1OAA OAA 0.02192 0.41237 7.40741
53 1QF5 GDP 0.03696 0.40419 7.40741
54 3W8X FAD 0.02153 0.4136 8.33333
55 2Y88 2ER 0.02299 0.40391 8.33333
56 2JKY 5GP 0.00007184 0.48287 8.4507
57 2V3V MGD 0.01634 0.43578 8.7963
58 1F0X FAD 0.0163 0.41418 8.7963
59 1FIQ FAD 0.01686 0.40936 8.7963
60 1NC4 DOF 0.00904 0.42022 8.83721
61 2PS1 PRP 0.0002501 0.47444 9.25926
62 2PS1 ORO 0.0000411 0.46723 9.25926
63 3C3Y SAH 0.002919 0.42627 9.25926
64 4P83 U5P 0.00001424 0.54354 9.34066
65 3OZG SSI 0.000008364 0.53268 9.72222
66 4J7U YTZ 0.01155 0.42525 10.1852
67 4J7U NAP 0.01155 0.42525 10.1852
68 5G5G FAD 0.01458 0.41938 10.1852
69 5W8V 9YP 0.0003217 0.47561 10.2326
70 1MZV AMP 0.000008056 0.50289 10.6481
71 1QB7 ADE 0.00009411 0.46428 10.6481
72 1Z6Z NAP 0.007417 0.42165 10.6481
73 1L1Q 9DA 0.00006614 0.5005 10.7527
74 3MBI HSX 0.000008223 0.56311 11.1111
75 1XCL SAH 0.0007145 0.47244 11.1111
76 3S1S SAH 0.008616 0.41006 11.1111
77 4JLS 3ZE 0.00009434 0.43667 11.1842
78 4Z2S NAG 0.02456 0.40039 11.2676
79 4Z2S NDG 0.02456 0.40039 11.2676
80 4QYS PLR 0.008396 0.40739 11.5741
81 5A5W GUO 0.01097 0.42354 11.8577
82 1P1C SAH 0.005596 0.41869 12.0603
83 4AUT FAD 0.02928 0.40172 12.5
84 2JBH 5GP 0.00001578 0.48249 13.8889
85 1PZM 5GP 0.000006499 0.5681 14.6919
86 1V97 FAD 0.03663 0.41056 16.2037
87 1DL5 SAH 0.01123 0.40918 16.6667
88 2Z3Y F2N 0.0309 0.40495 18.0556
89 1P18 7HP 0.000007571 0.55028 22.6852
90 1P18 PRP 0.000007571 0.47201 22.6852
91 4RHY 3QG 0.00004179 0.47149 27.3632
92 5JSQ 6MS 0.00002431 0.52532 28.2407
93 1ECC PCP 0.00008473 0.50219 31.0185
Pocket No.: 3; Query (leader) PDB : 1XTT; 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: 1xtt.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1XTT; 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: 1xtt.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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