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Receptor
PDB id Resolution Class Description Source Keywords
5U21 1.6 Å EC: 2.-.-.- X-RAY STRUCTURE OF THE WLARF AMINOTRANSFERASE FROM CAMPYLOBA JEJUNI, K184A MUTANT IN COMPLEX WITH TDP-QUI3N CAMPYLOBACTER JEJUNI AMINOTRANSFERASE PYRIDOXAL 5-prime -PHOSPHATE LIPOOLIGOSACCHARIDTRANSFERASE
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
EDO A:404;
D:402;
B:402;
A:405;
A:403;
D:403;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
TQP C:402;
D:401;
B:401;
A:402;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
776.471 C24 H35 N4 O19 P3 Cc1c(...
CL A:406;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
NA A: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 269 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 237 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 187 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 1O69 - X04 C8 H11 N2 O6 P Cc1c(c(c(c....
5 1O61 - PLP C8 H10 N O6 P Cc1c(c(c(c....
6 3FRK - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
7 3NU7 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
8 3NUB - UD0 C25 H34 N5 O22 P3 Cc1c(c(c(c....
9 3BN1 - AKG C5 H6 O5 C(CC(=O)O)....
10 3DR4 - G4M C24 H36 N7 O19 P3 Cc1c(c(c(c....
11 3DR7 - GPD C16 H26 N6 O13 P2 C[C@@H]1[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 TQP 1 1
2 7SG 1 1
3 T4K 0.830645 0.987805
4 T5K 0.830645 0.987805
5 18T 0.608333 0.878049
6 TRH 0.608333 0.878049
7 1JB 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 FUH 0.540741 0.879518
19 QUH 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 with APoc: 125
This union binding pocket(no: 1) in the query (biounit: 5u23.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 4R5Z PMP 0.544959
2 1U26 IHS 1.18694
3 1SFF IK2 1.3089
4 4ADC PLP 1.3089
5 1TOI HCI 1.3089
6 1AJS PLA 1.57068
7 4ZSY RW2 1.57068
8 1JS3 PLP 142 1.57068
9 1M32 PLP 1.63934
10 4RKC PMP 1.83246
11 5WYF ILP 1.83246
12 2Y4S BCD 1.83246
13 6DND PLP 2.09424
14 1ZC9 PMP 2.09424
15 4B98 PXG 2.09424
16 2R2N PMP 2.35602
17 4HVK PMP 2.35602
18 5W19 9TD 2.35602
19 4E1O PLP PVH 2.35602
20 4LNL PLG 2.4024
21 4LNL 2BK 2.4024
22 4LNL 2BO 2.4024
23 1FC4 AKB PLP 2.6178
24 5LY1 PPI 2.62467
25 2GNM MAN 2.77778
26 2GMP NAG MAN 2.77778
27 5X30 4LM 2.87958
28 5X30 7XF 2.87958
29 5X2Z 3LM 2.87958
30 4JE5 PLP 2.87958
31 4JE5 PMP 2.87958
32 4WXG 2BO 2.87958
33 2WK9 PLG 2.87958
34 2WK9 PLP 2.87958
35 1VJO PLP 3.05344
36 4IGQ OGA 3.05556
37 5DDW 5B6 3.14136
38 2R5E QLP 3.14136
39 2R5C C6P 3.14136
40 2D4V FLC 3.14136
41 5G09 6DF 3.14136
42 1DJ9 KAM 3.38542
43 1GCK ASP PLP 3.40314
44 2CJH AKG 3.40314
45 1PMO PLR 3.40314
46 2ZYJ PGU 3.40314
47 5A0U CHT 3.40314
48 1MLY ACZ PLP 3.4965
49 3BS8 PMP 3.66492
50 3BOF HCS 3.66492
51 1Q8A HCS 3.66492
52 3FQ8 PMP 3.9267
53 6BE0 COA 3.97351
54 5M3Z PLP 4.0201
55 5M3Z PY6 4.0201
56 5M3Z NLE 4.0201
57 1WYV PLP AOA 4.18848
58 2YLN CYS 4.24028
59 3PD6 PMP 4.45026
60 3PDB PMP 4.45026
61 5TXR PLP 4.45026
62 6FYQ PLP 4.45026
63 4UHO PLP 4.45026
64 1DFO PLG 4.45026
65 6CD1 PLG 4.45026
66 6CD1 PLS 4.45026
67 1XKD ICT 4.45026
68 3WGC PLG 4.69208
69 2OAT PFM 4.71204
70 4CFT M48 4.71204
71 4BA5 PXG 4.79303
72 3CQ5 PMP 4.87805
73 6CZY PMP 4.97238
74 1R4W GSH 5.30973
75 5AHO TLA 5.35714
76 4KTP BGC 5.49738
77 4FL0 PLP 5.75916
78 3A8U PLP 5.75916
79 1U08 PLP 6.02094
80 3W5N RAM 6.02094
81 5V4R MGT 6.17284
82 2FYF PLP 6.28272
83 1UU1 PMP HSA 6.86567
84 1GEX PLP HSA 7.02247
85 5IWQ PLP 7.06806
86 4RW3 IPD 7.28477
87 6ECG PM9 7.32984
88 2TPL HPP 7.32984
89 1CL2 PPG 8.10127
90 4IY7 KOU 8.11518
91 4IYO 0JO 8.11518
92 4IY7 0JO 8.11518
93 5YKT PMP 8.37696
94 3EI9 PL6 8.56481
95 3BGD PM6 9.23077
96 1LC8 33P 9.34066
97 2HJ9 AI2 9.50226
98 2Z9V PXM 9.94764
99 1E5F PLP 11.7801
100 4UOX PLP 12.0419
101 4UOX PUT 12.0419
102 4UOX PLP PUT 12.0419
103 1TKU 5RP 12.7451
104 1ELU PDA 14.1026
105 1ELU CSS 14.1026
106 2ZC0 PMP 14.1361
107 1GDE GLU PLP 14.3979
108 1IXE CIT 15.1194
109 5G4J EXT 16.2304
110 2Y7P SAL 16.9725
111 5VEQ PMP 17.2775
112 3ZRR PXG 17.9688
113 3FGZ BEF 20.3125
114 1B9I PXG 30.1047
115 3B8X G4M 30.8901
116 1LW4 PLP 32.853
117 1LW4 TLP 32.853
118 4ZAH T5K 32.9843
119 5K8B PDG 39.7906
120 6EWR PMP 39.7906
121 5W71 PLP 43.9791
122 5W71 9YM 43.9791
123 5W70 9YM 44.2697
124 2PO3 T4K 48.1675
125 4K2M O1G 49.7382
Pocket No.: 2; Query (leader) PDB : 5U23; Ligand: TQP; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 5u23.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1PCA CIT 2.35602
2 2P4S DIH 2.94906
3 6GN6 GLC 4.45026
4 5H3A UMP 4.59364
5 1VBO MAN 4.69799
6 1M1B SPV 5.08475
7 1XXR MAN 8.69565
8 2PEL LBT 9.32203
9 4FFG 0U8 10.2094
10 5DNC ASN 10.733
11 1DDU DDU 13.9623
12 1JG0 UMP 14.0152
Pocket No.: 3; Query (leader) PDB : 5U23; Ligand: TQP; Similar sites found with APoc: 8
This union binding pocket(no: 3) in the query (biounit: 5u23.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 3W6G FLC 2.77778
2 5BU2 AMP 3.66492
3 5BU2 ADP 3.66492
4 3CEV ARG 4.01338
5 5TQZ GLC 4.66667
6 1WB4 SXX 13.1313
7 6CDZ UMP 14.0684
8 1QH9 LAC 19.8276
Pocket No.: 4; Query (leader) PDB : 5U23; Ligand: TQP; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 5u23.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 5UGW GSH 1.14286
2 4QGE 35O 2.6178
3 9LDT OXM 2.71084
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