Receptor
PDB id Resolution Class Description Source Keywords
2FNU 1.5 Å EC: 2.-.-.- PSEC AMINOTRANSFERASE WITH EXTERNAL ALDIMINE HELICOBACTER PYLORI PROTEIN-PRODUCT COMPLEX STRUCTURAL GENOMICS MONTREAL-KINGSBACTERIAL STRUCTURAL GENOMICS INITIATIVE BSGI TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF PSEC, AMINOTRANSFERASE INVOLVED IN THE BIOSYNTHESIS OF PS ACID, AN ESSENTIAL FLAGELLAR MODIFICATION IN HELICO PYLORI J.BIOL.CHEM. V. 281 8907 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PMP UD1 A:901;
B:903;
Valid;
Valid;
none;
none;
submit data
818.492 n/a [P+](...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FNU 1.5 Å EC: 2.-.-.- PSEC AMINOTRANSFERASE WITH EXTERNAL ALDIMINE HELICOBACTER PYLORI PROTEIN-PRODUCT COMPLEX STRUCTURAL GENOMICS MONTREAL-KINGSBACTERIAL STRUCTURAL GENOMICS INITIATIVE BSGI TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF PSEC, AMINOTRANSFERASE INVOLVED IN THE BIOSYNTHESIS OF PS ACID, AN ESSENTIAL FLAGELLAR MODIFICATION IN HELICO PYLORI J.BIOL.CHEM. V. 281 8907 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 2FNU - PMP UD1 n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 2FNU - PMP UD1 n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 2FNU - PMP UD1 n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PMP UD1; Similar ligands found: 26
No: Ligand ECFP6 Tc MDL keys Tc
1 PMP UD1 1 1
2 4RA 0.529032 0.8875
3 UDP GAL 0.492308 0.844156
4 UD0 0.484472 0.876543
5 UD4 0.478571 0.846154
6 2QR 0.474359 0.901235
7 HP7 0.464286 0.844156
8 UDP UDP 0.46281 0.84
9 UD2 0.460432 0.833333
10 UD1 0.460432 0.833333
11 UD7 0.453901 0.857143
12 UAG API 0.448276 0.807229
13 MJZ 0.440559 0.822785
14 UDZ 0.435374 0.817073
15 12V 0.427586 0.790123
16 HWU 0.427586 0.790123
17 UDM 0.425532 0.8
18 UMA FGA LYS DAL DAL 0.423913 0.831325
19 EPZ 0.42 0.846154
20 EPU 0.417219 0.8125
21 EEB 0.417219 0.835443
22 UGB 0.410072 0.831169
23 UGA 0.410072 0.831169
24 UMA 0.405063 0.846154
25 UDP 0.404762 0.794872
26 UPU 0.401515 0.818182
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FNU; Ligand: PMP UD1; Similar sites found: 74
This union binding pocket(no: 1) in the query (biounit: 2fnu.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DS0 A2G GAL NAG FUC 0.01593 0.44637 None
2 1A5V Y3 0.04041 0.40889 None
3 5IWQ PLP 0.006144 0.44065 1.33333
4 5DDW 5B6 0.009647 0.41022 1.6
5 4R5Z PMP 0.005382 0.41842 1.63488
6 1A99 PUT 0.02406 0.42316 1.74419
7 2EG5 SAH 0.02679 0.40489 1.88172
8 1NSZ GLC 0.04245 0.40498 2.01729
9 1UU1 PMP HSA 0.004377 0.42552 2.08955
10 2CJH AKG 0.009713 0.42306 2.13333
11 3JQ3 ADP 0.03331 0.40693 2.18579
12 2BR6 HSL 0.01821 0.40067 2.38095
13 4BA5 PXG 0.0002803 0.49723 2.4
14 2ZC0 PMP 0.001176 0.46288 2.4
15 2DKD NG1 0.02166 0.42062 2.4
16 1VBJ CIT 0.03981 0.4085 2.4911
17 3L6C MLI 0.04214 0.40516 2.65487
18 2HOX P1T 0.006914 0.42311 2.66667
19 1M2X MCO 0.02796 0.41857 2.69058
20 3LN9 FLC 0.009895 0.41361 2.8777
21 3PDB PMP 0.00008438 0.53431 2.93333
22 3PD6 PMP 0.0001932 0.52234 2.93333
23 3ZRR PXG 0.005064 0.42596 2.93333
24 3EI9 PL6 0.009083 0.40568 2.93333
25 2FYF PLP 0.01183 0.43457 3.2
26 1GCK ASP PLP 0.004189 0.4297 3.2
27 5G4J EXT 0.009117 0.41754 3.2
28 4FE2 ADP 0.0192 0.41563 3.52941
29 1SFF IK2 0.00397 0.43076 3.73333
30 2R2N PMP 0.0005059 0.49521 4
31 2Z9V PXM 0.001125 0.49447 4
32 1VJO PLP 0.004269 0.4403 4
33 4FL0 PLP 0.01803 0.41701 4
34 1DQN IMU 0.0393 0.40678 4.34783
35 1E5F PLP 0.00004204 0.53688 4.8
36 4UOX PLP 0.002914 0.45697 5.06667
37 4JE5 PMP 0.02712 0.41159 5.06667
38 4JE5 PLP 0.03322 0.40699 5.06667
39 4UOX PUT 0.02145 0.40638 5.06667
40 1CL2 PPG 0.01656 0.40256 5.06667
41 1FC4 AKB PLP 0.002909 0.44051 5.33333
42 1M32 PLP 0.01355 0.43794 5.46448
43 1K4M CIT 0.001962 0.49584 5.6338
44 1LC8 33P 0.001167 0.43418 5.76923
45 1U6R IOM 0.04842 0.40491 5.86667
46 3A70 NPO 0.04368 0.4085 6.4
47 1W6F ISZ 0.03992 0.40903 6.47482
48 2BOS GLA GAL GLC NBU 0.006667 0.44976 7.35294
49 2V5K OXM 0.04712 0.40862 7.66551
50 4UHO PLP 0.02085 0.42574 7.73333
51 2V57 PRL 0.04902 0.40951 7.89474
52 2TPL HPP 0.003528 0.41743 8.53333
53 3W9F I3P 0.01941 0.41667 9.23077
54 4ZSY RW2 0.00375 0.42851 9.86667
55 5BTX CMP 0.01462 0.41689 10.274
56 2P3V SRT 0.04963 0.40443 10.9375
57 3QUG GIX 0.03157 0.41188 11.1111
58 3GXA MET 0.04114 0.40571 11.2727
59 4IY7 KOU 0.000317 0.48049 14.9333
60 4IY7 0JO 0.0003635 0.4778 14.9333
61 1DJ9 KAM 0.0005972 0.48143 16
62 1GDE GLU PLP 0.01012 0.41543 16.5333
63 4CQK PIO 0.04383 0.40291 19.1489
64 4ZAH T5K 0.0000000004029 0.68922 28
65 5W71 PLP 0.000000001279 0.50615 30.4
66 5W71 9YM 0.000006293 0.4961 30.4
67 5W70 9YM 0.00000000861 0.5017 31.2
68 5K8B PDG 0.0000000003661 0.55373 32
69 1B9I PXG 0.00000001996 0.50559 38.1443
70 3B8X G4M 0.000000001565 0.62821 41.3333
71 4K2M O1G 0.0000000004083 0.72884 41.8667
72 2PO3 T4K 0.0000000000001715 0.77194 44.2667
73 3FRK TQP 0.000000000299 0.61634 47.185
74 3DR4 G4M 0.00000000003998 0.65522 49.8667
Pocket No.: 2; Query (leader) PDB : 2FNU; Ligand: PMP UD1; Similar sites found: 9
This union binding pocket(no: 2) in the query (biounit: 2fnu.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JS3 PLP 142 0.02115 0.40055 2.13333
2 2P1E LAC 0.01576 0.43007 2.2508
3 2EUG URA 0.04064 0.40464 3.49345
4 1JJ7 ADP 0.02767 0.42231 3.84615
5 3IP5 ALA 0.04988 0.40736 3.93258
6 2DVZ GLU 0.03029 0.40909 4.14013
7 2BOS GLA GAL GLC 0.005623 0.45483 7.35294
8 3P13 RIP 0.03754 0.4106 8.33333
9 4WVW SLT 0.04761 0.40136 22.2222
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