Receptor
PDB id Resolution Class Description Source Keywords
3BJE 1.44 Å EC: 2.4.2.- CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI NUCLEOSIDE PHOSPHORY URIDINE PHOSPHORYLASE ACTIVITY TRYPANOSOMA BRUCEI NUCLEOSIDE PHOSPHORYLASE URIDINE PHOSPHORYLASE STRUCTURAL MEDICAL STRUCTURAL GENOMICS OF PATHOGENIC PROTOZOA CONSORTIMSGPP TRYPANOSOMA BRUCEI SLEEPING SICKNESS GLYCOSYLTRANTRANSFERASE
Ref.: THE CRYSTAL STRUCTURE AND ACTIVITY OF A PUTATIVE TRYPANOSOMAL NUCLEOSIDE PHOSPHORYLASE REVEAL IT TO HOMODIMERIC URIDINE PHOSPHORYLASE J.MOL.BIOL. V. 396 1244 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:402;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
R1P A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
230.11 C5 H11 O8 P C([C@...
URA A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BJE 1.44 Å EC: 2.4.2.- CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI NUCLEOSIDE PHOSPHORY URIDINE PHOSPHORYLASE ACTIVITY TRYPANOSOMA BRUCEI NUCLEOSIDE PHOSPHORYLASE URIDINE PHOSPHORYLASE STRUCTURAL MEDICAL STRUCTURAL GENOMICS OF PATHOGENIC PROTOZOA CONSORTIMSGPP TRYPANOSOMA BRUCEI SLEEPING SICKNESS GLYCOSYLTRANTRANSFERASE
Ref.: THE CRYSTAL STRUCTURE AND ACTIVITY OF A PUTATIVE TRYPANOSOMAL NUCLEOSIDE PHOSPHORYLASE REVEAL IT TO HOMODIMERIC URIDINE PHOSPHORYLASE J.MOL.BIOL. V. 396 1244 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3BJE - R1P C5 H11 O8 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3BJE - R1P C5 H11 O8 P C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3BJE - R1P C5 H11 O8 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: R1P; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 R1P 1 1
2 XGP 0.852941 0.904762
3 M1P 0.852941 0.904762
4 G1P 0.852941 0.904762
5 GL1 0.852941 0.904762
6 GP1 0.571429 0.76
7 GFP 0.571429 0.826087
8 NG1 0.48 0.690909
9 GN1 0.48 0.690909
10 ALX 0.465116 0.904762
11 BNX 0.465116 0.904762
12 TRE 0.45 0.622222
13 T6P 0.44 0.844444
14 AMG 0.439024 0.6
15 MBG 0.439024 0.6
16 GYP 0.439024 0.6
17 MMA 0.439024 0.6
18 G16 0.4375 0.840909
19 GPM 0.418605 0.8
20 YO5 0.418605 0.8
21 MVP 0.418182 0.808511
22 PRP 0.411765 0.951219
23 PPC 0.411765 0.886364
24 GMB 0.403846 0.840909
Ligand no: 2; Ligand: URA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
2 TUL 0.5 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BJE; Ligand: R1P; Similar sites found: 36
This union binding pocket(no: 1) in the query (biounit: 3bje.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VCY UD1 0.02185 0.40431 2.00573
2 4A0M NAD 0.04097 0.4028 2.00573
3 3MJY FMN 0.02822 0.4103 2.31214
4 3MJY IJZ 0.02822 0.4103 2.31214
5 3JSX CC2 0.03288 0.40788 2.5641
6 3JSX FAD 0.02547 0.40242 2.5641
7 1ZEM NAD 0.02471 0.40728 2.67176
8 4BMX ADE 0.000486 0.48125 2.78884
9 4OXI GAP 0.008078 0.42445 2.86533
10 2FAH GDP 0.007234 0.41921 2.86533
11 4QAR ADE 0.002781 0.40211 2.98507
12 3BP1 GUN 0.002628 0.4348 3.10345
13 4WKB TDI 0.0003458 0.40397 3.27869
14 1TLL FMN 0.02783 0.40046 4.58453
15 1ZOS MTM 0.0006032 0.42097 4.78261
16 4PIO SAH 0.03975 0.40453 4.95356
17 2IZ1 ATR 0.006637 0.4197 5.15759
18 2FKA BEF 0.006722 0.42808 5.42636
19 3BL6 FMC 0.00005723 0.52717 6.08696
20 1U2Z SAH 0.02536 0.40252 6.30372
21 4J36 FAD 0.04418 0.40105 6.59026
22 1LSZ NDG NAG NAG NAG 0.01318 0.40213 6.80272
23 3LGS SAH 0.0001916 0.42364 10.4869
24 3LGS ADE 0.0001916 0.42364 10.4869
25 1FIQ FAD 0.04402 0.40216 10.5023
26 1WG8 SAM 0.0258 0.40358 11.9298
27 1NW4 IMH 0.000001755 0.53085 12.6812
28 3CPJ GDP 0.01375 0.40551 16.1435
29 3U40 ADN 0.000003961 0.57542 17.3554
30 3QPB R1P 0.000000000002816 0.86273 22.3404
31 1VHW ADN 0.000007326 0.53692 23.7154
32 4DA6 GA2 0.0001812 0.49484 23.7154
33 2AC7 ADN 0.00001653 0.4084 26.383
34 3KVY R2B 0.0000006854 0.56817 30.4207
35 4TXJ THM 0.0000000002209 0.82714 31.7568
36 1U1F 183 0.00000000002101 0.91316 46.0938
Pocket No.: 2; Query (leader) PDB : 3BJE; Ligand: URA; Similar sites found: 117
This union binding pocket(no: 2) in the query (biounit: 3bje.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GPM AMP 0.007186 0.40705 1.43266
2 3A16 PXO 0.0009969 0.43692 1.7192
3 4K91 SIN 0.0003694 0.48311 1.7341
4 3OV6 MK0 0.0306 0.40998 1.76322
5 4OR7 NAP 0.02437 0.41278 1.81818
6 2PA4 UPG 0.04454 0.40461 1.85759
7 4DE9 VTP 0.004244 0.45745 2.0979
8 1GAD NAD 0.01044 0.43719 2.12121
9 5XDT MB3 0.04332 0.4066 2.27273
10 3ZF8 GDP 0.006163 0.4187 2.29508
11 3AB3 GDP 0.02381 0.40261 2.43902
12 3JSX CC2 0.03497 0.41372 2.5641
13 3JSX FAD 0.02464 0.41137 2.5641
14 5JXZ ISC 0.012 0.4106 2.5788
15 5JXZ ISJ 0.01206 0.41059 2.5788
16 3JUK UPG 0.03373 0.40744 2.5788
17 4UUG PXG 0.003015 0.46051 2.71084
18 1C9K 5GP 0.01699 0.40035 2.77778
19 4BMX ADE 0.000001861 0.62363 2.78884
20 1NHZ 486 0.02335 0.40726 2.85714
21 3HGM ATP 0.01278 0.41946 2.86533
22 3VC3 C6P 0.0228 0.41221 2.90698
23 4QAR ADE 0.000001434 0.49636 2.98507
24 4L2I NAD 0.04378 0.41141 3.04183
25 4L2I FAD 0.03197 0.41141 3.04183
26 1OG1 TAD 0.02168 0.41119 3.09735
27 5F7J ADE 0.000003337 0.43814 3.125
28 2CWH NDP 0.041 0.40411 3.207
29 2CWH PYC 0.04897 0.40411 3.207
30 2ZFU SAH 0.0227 0.40193 3.25581
31 4WKB TDI 0.000002345 0.43641 3.27869
32 2XVD AS6 0.02952 0.40865 3.31126
33 3DJF BC3 0.00001892 0.40141 3.48432
34 1FND A2P 0.04208 0.40987 3.50318
35 1FND FAD 0.04208 0.40987 3.50318
36 1L3I SAH 0.009352 0.43495 3.64583
37 2XIQ MLC 0.007231 0.44592 3.72493
38 1K3T BRZ 0.03775 0.41357 3.72493
39 3ZIU LSS 0.02594 0.40478 3.72493
40 1O97 AMP 0.02988 0.42728 3.78788
41 3BXF 13P 0.0103 0.42557 3.92157
42 3BXF FBP 0.01356 0.42225 3.92157
43 4M7V RAR 0.03369 0.41786 4
44 4M7V NAP 0.02252 0.41648 4
45 2P4S DIH 0.00001164 0.47496 4.01146
46 2A8Y MTA 0.000006434 0.42719 4.07407
47 1C3X 8IG 0.00001713 0.54451 4.13534
48 5M3E APR 0.0206 0.4201 4.24242
49 1VKF CIT 0.004706 0.40516 4.25532
50 5C5H 4YB 0.01544 0.42562 4.29799
51 2J8Z NAP 0.01991 0.42012 4.29799
52 1FEC FAD 0.03869 0.41969 4.29799
53 4UTW RFW 0.01736 0.40485 4.36681
54 3HVJ 705 0.02295 0.42028 4.52489
55 1K27 MTM 0.000001517 0.44472 4.59364
56 3ZZS TRP 0.01154 0.41035 4.61538
57 2XG5 EC2 0.005121 0.40241 4.62428
58 2XG5 EC5 0.005121 0.40241 4.62428
59 1ZOS MTM 0.0000006894 0.48924 4.78261
60 1T57 FMN 0.01841 0.41357 4.85437
61 2OEG UPG 0.02409 0.40581 5.15759
62 3ESS 18N 0.009789 0.40265 5.21739
63 1G2O IMH 0.00001406 0.45122 5.22388
64 1NCQ W11 0.006522 0.43002 5.34351
65 4GCZ FMN 0.01521 0.40938 5.44413
66 2X65 M1P 0.01141 0.40339 5.44413
67 5DYO FLU 0.001858 0.44013 5.66038
68 1CT9 AMP 0.01215 0.40094 5.73066
69 1JR8 FAD 0.02449 0.40532 5.98291
70 4ZH7 FUC GAL NAG GAL FUC 0.01193 0.40981 6.01719
71 3BL6 FMC 0.0000008385 0.64178 6.08696
72 5ETJ IM5 0.000009683 0.45346 6.17284
73 2W9S NDP 0.0365 0.40088 6.21118
74 2A5F NAD 0.009179 0.42285 6.28571
75 1IYE PGU 0.01277 0.4344 6.47249
76 2PZ8 APC 0.01694 0.41369 6.69014
77 3B82 NAD 0.0331 0.40213 6.76329
78 5AHW CMP 0.006597 0.42973 6.80272
79 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.007385 0.41222 6.87679
80 3LF0 ATP 0.003702 0.45081 7.01754
81 5IFK HPA 0.00002185 0.53052 7.05128
82 1REQ DCA 0.01073 0.44767 7.16332
83 4R84 CSF 0.01398 0.41201 7.16332
84 4Q3F TLA 0.01224 0.40098 7.69231
85 1OQC FAD 0.03066 0.40094 8
86 2WN6 NDP 0.02358 0.40137 8.02292
87 4PAB THG 0.0107 0.41374 8.59599
88 2RDE C2E 0.00716 0.42 9.16335
89 1T90 NAD 0.02557 0.41399 10.0287
90 3LGS ADE 0.0000009966 0.463 10.4869
91 3LGS SAH 0.0000009966 0.463 10.4869
92 1VMK GUN 0.00004905 0.51274 11.1913
93 5UKL SIX 0.01279 0.42555 11.4613
94 2J9D AMP 0.01268 0.41286 11.7647
95 4GLJ RHB 0.0000273 0.41325 12.1212
96 4BTI 7R9 0.02046 0.4128 12.5
97 1NW4 IMH 0.000001082 0.49317 12.6812
98 1UZD CAP 0.0255 0.40179 12.6866
99 3G6K POP 0.02077 0.41497 14.3266
100 3G6K FAD 0.02283 0.41497 14.3266
101 1D1G NDP 0.02052 0.41367 15.4762
102 5N5D SAM 0.006088 0.43585 15.9292
103 3U40 ADN 0.0000002443 0.65808 17.3554
104 4EHU ANP 0.01396 0.42083 21.3768
105 1A69 FMB 0.03131 0.45966 21.8487
106 3QPB URA 0.00000006393 0.66286 22.3404
107 4DA6 GA2 0.000002221 0.60676 23.7154
108 1VHW ADN 0.000001796 0.51727 23.7154
109 5MX4 HPA 0.00000001359 0.69678 24.0343
110 2AC7 ADN 0.000001963 0.40091 26.383
111 3KVY URA 0.00000000002043 0.84681 30.4207
112 3KVY R2B 0.001299 0.45711 30.4207
113 3EUF BAU 0.0000000004093 0.6136 30.4878
114 4TXJ THM 0.000000001347 0.82071 31.7568
115 3P0F BAU 0.000000000932 0.58622 35.0168
116 4YJK URA 0.0000000000915 0.81639 40.873
117 1U1F 183 0.00000001391 0.78957 46.0938
Pocket No.: 3; Query (leader) PDB : 3BJE; Ligand: URA; 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: 3bje.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3BJE; Ligand: R1P; 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: 3bje.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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