Receptor
PDB id Resolution Class Description Source Keywords
5U23 1.45 Å EC: 2.-.-.- X-RAY STRUCTURE OF THE WLARG AMINOTRANSFERASE FROM CAMPYLOBA JEJUNI IN COMPLEX WITH TDP-QUI3N CAMPYLOBACTER JEJUNI AMINOTRANSFERASE LIPOOLIGOSACCHARIDE PYRIDOXAL 5-prime -PHOSPHATETRANSFERASE
Ref.: STRUCTURAL INVESTIGATION ON WLARG FROM CAMPYLOBACTE A SUGAR AMINOTRANSFERASE. PROTEIN SCI. V. 26 586 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL C:406;
Invalid;
none;
submit data
35.453 Cl [Cl-]
EDO D:402;
C:404;
C:405;
C:403;
B:403;
B:404;
A:402;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
TQP C:402;
D:401;
A:401;
B:402;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
776.471 C24 H35 N4 O19 P3 Cc1c(...
MPO C:407;
Invalid;
none;
submit data
209.263 C7 H15 N O4 S C1COC...
NA B:401;
C:401;
Invalid;
Invalid;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5U23 1.45 Å EC: 2.-.-.- X-RAY STRUCTURE OF THE WLARG AMINOTRANSFERASE FROM CAMPYLOBA JEJUNI IN COMPLEX WITH TDP-QUI3N CAMPYLOBACTER JEJUNI AMINOTRANSFERASE LIPOOLIGOSACCHARIDE PYRIDOXAL 5-prime -PHOSPHATETRANSFERASE
Ref.: STRUCTURAL INVESTIGATION ON WLARG FROM CAMPYLOBACTE A SUGAR AMINOTRANSFERASE. PROTEIN SCI. V. 26 586 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 5U21 - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
2 5U23 - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
3 5U24 - 7SG C24 H35 N4 O19 P3 Cc1c(c(c(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 5U21 - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
2 5U23 - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
3 5U24 - 7SG C24 H35 N4 O19 P3 Cc1c(c(c(c....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 5U21 - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
2 5U23 - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
3 5U24 - 7SG C24 H35 N4 O19 P3 Cc1c(c(c(c....
4 1O61 - PLP C8 H10 N O6 P Cc1c(c(c(c....
5 3FRK - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
6 3NU7 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
7 3NUB - UD0 C25 H34 N5 O22 P3 Cc1c(c(c(c....
8 3BN1 - AKG C5 H6 O5 C(CC(=O)O)....
9 3DR4 - G4M C24 H36 N7 O19 P3 Cc1c(c(c(c....
10 3DR7 - GPD C16 H26 N6 O13 P2 C[C@@H]1[C....
11 1MDZ - PLP C8 H10 N O6 P Cc1c(c(c(c....
12 2OGA - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TQP; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 7SG 1 1
2 TQP 1 1
3 T4K 0.830645 0.987805
4 T5K 0.830645 0.987805
5 1JB 0.608333 0.878049
6 TRH 0.608333 0.878049
7 18T 0.608333 0.878049
8 T3Q 0.598361 0.879518
9 T3F 0.598361 0.879518
10 MMF 0.58871 0.879518
11 FNF 0.587302 0.890244
12 1YF 0.587302 0.890244
13 QDM 0.579365 0.869048
14 4TG 0.570312 0.890244
15 0FX 0.563492 0.879518
16 DAU 0.552 0.855422
17 T46 0.543307 0.878049
18 QUH 0.540741 0.879518
19 FUH 0.540741 0.879518
20 TDX 0.531746 0.865854
21 3R2 0.519685 0.845238
22 0N2 0.51938 0.869048
23 4RA 0.512987 0.914634
24 TTP 0.512605 0.864198
25 TYD 0.504274 0.864198
26 3YN 0.5 0.878049
27 AKM 0.492537 0.860465
28 DWN 0.48855 0.879518
29 O1G 0.483871 0.707317
30 JHZ 0.481481 0.858824
31 UD0 0.477987 0.903614
32 TMP 0.474138 0.851852
33 TLO 0.465116 0.888889
34 T5A 0.422819 0.840909
35 TBD 0.401575 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5U23; Ligand: TQP; Similar sites found: 79
This union binding pocket(no: 1) in the query (biounit: 5u23.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4R5Z PMP 0.00239 0.4276 0.544959
2 4ADC PLP 0.001487 0.46528 1.3089
3 1SFF IK2 0.004094 0.42414 1.3089
4 1AJS PLA 0.0006127 0.44918 1.57068
5 4ZSY RW2 0.003104 0.42604 1.57068
6 1JS3 PLP 142 0.01308 0.40468 1.57068
7 1M32 PLP 0.02793 0.41305 1.63934
8 4RKC PMP 0.0005292 0.48219 1.83246
9 5WYF ILP 0.008217 0.41065 1.83246
10 2Y4S BCD 0.03636 0.40338 1.83246
11 1ZC9 PMP 0.0009156 0.45715 2.09424
12 4B98 PXG 0.005521 0.42527 2.09424
13 2R2N PMP 0.0006639 0.4826 2.35602
14 4E1O PLP PVH 0.007696 0.40584 2.35602
15 1FC4 AKB PLP 0.005567 0.42157 2.6178
16 5LY1 PPI 0.02665 0.40691 2.62467
17 2GNM MAN 0.03117 0.41596 2.77778
18 2GMP NAG MAN 0.04183 0.40445 2.77778
19 5X30 4LM 0.0008098 0.4639 2.87958
20 5X30 7XF 0.0009055 0.45737 2.87958
21 4JE5 PLP 0.007969 0.43339 2.87958
22 4JE5 PMP 0.008244 0.43265 2.87958
23 4WXG 2BO 0.00212 0.42654 2.87958
24 5X2Z 3LM 0.0009359 0.40477 2.87958
25 2WK9 PLP 0.003065 0.40312 2.87958
26 5DDW 5B6 0.002674 0.42887 3.14136
27 2R5E QLP 0.00637 0.41558 3.14136
28 2R5C C6P 0.007888 0.41144 3.14136
29 2D4V FLC 0.02821 0.40919 3.14136
30 5G09 6DF 0.009978 0.40688 3.14136
31 1DJ9 KAM 0.0009436 0.46532 3.38542
32 3I5C C2E 0.03036 0.41483 3.39806
33 1GCK ASP PLP 0.002648 0.43256 3.40314
34 1PMO PLR 0.01063 0.42297 3.40314
35 1Q8A HCS 0.04612 0.40331 3.66492
36 1WYV PLP AOA 0.005549 0.42517 4.18848
37 3PD6 PMP 0.0001131 0.52699 4.45026
38 3PDB PMP 0.0001311 0.51742 4.45026
39 4UHO PLP 0.005465 0.45142 4.45026
40 3WGC PLG 0.0004673 0.47975 4.69208
41 2OAT PFM 0.01504 0.40504 4.71204
42 4CFT M48 0.04764 0.40143 4.71204
43 4BA5 PXG 0.0004573 0.48019 4.79303
44 3B1E P1T 0.01349 0.4141 4.84694
45 3CQ5 PMP 0.009124 0.43954 4.87805
46 1R4W GSH 0.02887 0.40132 5.30973
47 4KTP BGC 0.04399 0.40482 5.49738
48 4FL0 PLP 0.002991 0.45026 5.75916
49 1U08 PLP 0.000827 0.48326 6.02094
50 5V4R MGT 0.01114 0.43149 6.17284
51 2FYF PLP 0.007888 0.43811 6.28272
52 5DJ3 5DK 0.008888 0.41232 6.38298
53 1UU1 PMP HSA 0.005704 0.4145 6.86567
54 5IWQ PLP 0.006126 0.43484 7.06806
55 4RW3 IPD 0.02302 0.41383 7.28477
56 4IY7 KOU 0.0049 0.42066 8.11518
57 4IYO 0JO 0.005478 0.4185 8.11518
58 4IY7 0JO 0.005536 0.4183 8.11518
59 3EI9 PL6 0.002504 0.4235 8.56481
60 2HJ9 AI2 0.04667 0.40155 9.50226
61 4UOX PLP 0.001007 0.47366 12.0419
62 4UOX PUT 0.01206 0.41288 12.0419
63 4UOX PLP PUT 0.01674 0.40286 12.0419
64 1ELU PDA 0.002753 0.43546 14.1026
65 1ELU CSS 0.005586 0.4149 14.1026
66 2ZC0 PMP 0.000196 0.49243 14.1361
67 1GDE GLU PLP 0.006374 0.41889 14.3979
68 5G4J EXT 0.004652 0.42511 16.2304
69 3E2Y PMP 0.001044 0.47288 17.2775
70 4ZYB 4SQ 0.03266 0.40584 19.403
71 3FGZ BEF 0.04561 0.41432 20.3125
72 3B8X G4M 0.00000001028 0.58054 30.8901
73 4ZAH T5K 0.0000000277 0.60552 32.9843
74 5K8B PDG 0.000000003367 0.6778 39.7906
75 5W71 9YM 0.0000002191 0.57123 43.9791
76 5W71 PLP 0.0000000001755 0.56437 43.9791
77 5W70 9YM 0.000000007583 0.67891 44.2697
78 2PO3 T4K 0.000000001767 0.60681 48.1675
79 4K2M O1G 0.0000000003219 0.72139 49.7382
Pocket No.: 2; Query (leader) PDB : 5U23; Ligand: TQP; 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: 5u23.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5U23; Ligand: TQP; Similar sites found: 4
This union binding pocket(no: 3) in the query (biounit: 5u23.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BU2 AMP 0.005577 0.43389 3.66492
2 2PEL LBT 0.04359 0.40301 9.32203
3 1WB4 SXX 0.006406 0.45063 13.1313
4 1JG0 UMP 0.04864 0.40075 14.0152
Pocket No.: 4; Query (leader) PDB : 5U23; Ligand: TQP; 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: 5u23.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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