Receptor
PDB id Resolution Class Description Source Keywords
2WZF 2.1 Å EC: 2.-.-.- LEGIONELLA PNEUMOPHILA GLUCOSYLTRANSFERASE CRYSTAL STRUCTURE LEGIONELLA PNEUMOPHILA TRANSFERASE ELONGATION FACTOR 1A VIRULENCE FACTOR GLUCOSYLTRANSFERASE
Ref.: MOLECULAR MECHANISM OF ELONGATION FACTOR 1A INHIBITION BY A LEGIONELLA PNEUMOPHILA GLYCOSYLTRANSFERASE. BIOCHEM.J. V. 426 281 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC A:1526;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
MN A:1524;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
UDP A:1525;
Valid;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WZF 2.1 Å EC: 2.-.-.- LEGIONELLA PNEUMOPHILA GLUCOSYLTRANSFERASE CRYSTAL STRUCTURE LEGIONELLA PNEUMOPHILA TRANSFERASE ELONGATION FACTOR 1A VIRULENCE FACTOR GLUCOSYLTRANSFERASE
Ref.: MOLECULAR MECHANISM OF ELONGATION FACTOR 1A INHIBITION BY A LEGIONELLA PNEUMOPHILA GLYCOSYLTRANSFERASE. BIOCHEM.J. V. 426 281 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 2WZF - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3JSZ - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
2 2WZG Kd = 100 nM UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
3 3JT1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 2WZF - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3JSZ - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
2 2WZG Kd = 100 nM UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
3 3JT1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 2WZF - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Ligand no: 2; Ligand: UDP; Similar ligands found: 116
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP 1 1
2 UTP 0.892308 1
3 UNP 0.8 0.970149
4 U5P 0.78125 0.984615
5 UPU 0.72973 0.940298
6 2KH 0.722222 0.970149
7 44P 0.720588 0.955882
8 URM 0.717949 0.927536
9 GUD 0.717949 0.941176
10 GDU 0.717949 0.941176
11 UFM 0.717949 0.941176
12 UPG 0.717949 0.941176
13 660 0.717949 0.927536
14 UDP UDP 0.714286 0.939394
15 UDH 0.705128 0.864865
16 UPP 0.705128 0.941176
17 UPF 0.691358 0.888889
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UDX 0.670732 0.941176
21 UAD 0.670732 0.941176
22 3UC 0.658824 0.888889
23 USQ 0.654762 0.820513
24 UGB 0.654762 0.955224
25 UGA 0.654762 0.955224
26 G3N 0.647059 0.914286
27 UDM 0.636364 0.914286
28 URI 0.625 0.863636
29 U 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 UDP GAL 0.611765 0.913043
33 Y6W 0.607143 0.888889
34 CDP 0.605263 0.942029
35 UD7 0.591398 0.927536
36 HP7 0.591398 0.941176
37 MJZ 0.585106 0.914286
38 IUG 0.583333 0.810127
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 UD4 0.578947 0.914286
42 CJB 0.573529 0.820895
43 UDZ 0.571429 0.853333
44 DUD 0.571429 0.913043
45 UP5 0.571429 0.853333
46 U U 0.563218 0.955224
47 EPZ 0.56 0.914286
48 5GW 0.559524 0.942029
49 EPU 0.554455 0.901408
50 EEB 0.554455 0.901408
51 UA3 0.547945 0.939394
52 U3P 0.547945 0.939394
53 CH 0.546667 0.913043
54 4TC 0.544554 0.831169
55 CTP 0.54321 0.942029
56 CSV 0.531915 0.851351
57 CSQ 0.531915 0.851351
58 DUT 0.52439 0.913043
59 4GW 0.516484 0.915493
60 UMA 0.513761 0.914286
61 U4S 0.513158 0.753425
62 U2P 0.506667 0.954545
63 U2S 0.5 0.767123
64 U3S 0.5 0.753425
65 PUP 0.48913 0.913043
66 U22 0.486957 0.790123
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 DKX 0.486486 0.746479
70 U1S 0.482759 0.75
71 A U 0.481132 0.805195
72 2QR 0.478632 0.822785
73 5FU 0.474359 0.914286
74 8OD 0.47191 0.851351
75 C5G 0.468085 0.888889
76 7XL 0.465909 0.888889
77 U U U U 0.461538 0.940298
78 UMF 0.461538 0.857143
79 G8D 0.460674 0.855263
80 UTP U U U 0.456522 0.895522
81 2TU 0.452055 0.774648
82 4RA 0.451613 0.855263
83 C2G 0.450549 0.901408
84 DU 0.45 0.898551
85 CAR 0.45 0.927536
86 C 0.45 0.927536
87 C5P 0.45 0.927536
88 UMP 0.45 0.898551
89 UAG 0.448 0.864865
90 CDC 0.446809 0.777778
91 UD0 0.444444 0.844156
92 5BU 0.444444 0.914286
93 N3E 0.440476 0.733333
94 UC5 0.440476 0.9
95 UUA 0.438356 0.772727
96 DUP 0.431818 0.887324
97 2GW 0.431373 0.901408
98 M7G 0.430108 0.780488
99 CNU 0.428571 0.927536
100 CDM 0.427083 0.842105
101 H6Y 0.425532 0.851351
102 16B 0.421687 0.888889
103 S5P 0.419753 0.915493
104 8GT 0.419355 0.855263
105 CXY 0.418367 0.888889
106 UPA 0.418182 0.842105
107 CDP MG 0.413793 0.849315
108 U2G 0.410714 0.822785
109 U A A U 0.409836 0.842105
110 UML 0.408759 0.810127
111 UP6 0.407407 0.871429
112 M7M 0.40625 0.771084
113 PMP UD1 0.404762 0.794872
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WZF; Ligand: UDP; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 2wzf.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3K8L CEY 0.002267 0.45892 1.33333
2 3U2U UDP 0.003949 0.44126 2.6616
3 3MAX LLX 0.01718 0.40113 2.7248
4 2BVL GLC 0.0000008495 0.50265 2.85714
5 2BVL UDP 0.0000008495 0.50265 2.85714
6 4IRP UDP 0.009524 0.41653 3.18725
7 4LHM AZZ 0.01911 0.40307 3.63636
8 2VL8 UDP 0.00001197 0.54072 4.19048
9 2VL8 CTS 0.0000122 0.53773 4.19048
10 1SQL GUN 0.02065 0.40128 5.47945
11 5UQK U2F 0.00001197 0.46069 5.71429
12 2VOH CIT 0.001806 0.46991 5.73248
13 1YNH SUO 0.01601 0.40258 7.20524
14 5X2N ALA 0.003355 0.4447 7.55556
15 4M4K GDU 0.01294 0.40225 8.36237
16 4M4K XYP XYP 0.01294 0.40225 8.36237
17 4MIX UD1 0.00003344 0.51228 10.119
Pocket No.: 2; Query (leader) PDB : 2WZF; Ligand: BGC; Similar sites found: 84
This union binding pocket(no: 2) in the query (biounit: 2wzf.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3FJO FMN 0.01536 0.41404 1.71429
2 1NJF AGS 0.03247 0.40017 2
3 4B98 PXG 0.01416 0.41331 2.00893
4 3ZSN MIV 0.02566 0.40356 2.15827
5 5IXJ THR 0.0348 0.40767 2.27273
6 2X61 CH 0.0264 0.40009 2.32558
7 4QWT ACD 0.02103 0.41455 2.47619
8 1MI3 NAD 0.01448 0.43213 2.48447
9 3U2U UDP 0.02889 0.41519 2.6616
10 1KY3 GDP 0.0096 0.41986 2.74725
11 2J0V GDP 0.003397 0.43857 2.83019
12 2BVL UDP 0.00000006946 0.48078 2.85714
13 2BVL GLC 0.00000006946 0.48078 2.85714
14 3AI7 TPP 0.02595 0.40984 2.85714
15 1OHE ACE ALA SEP PRO 0.01074 0.40602 2.87356
16 1VG8 GNP 0.01427 0.42419 2.89855
17 2GCN GDP 0.01262 0.42088 2.98507
18 1EYR CDP 0.01174 0.41715 3.07018
19 1GDE GLU PLP 0.01704 0.41019 3.08483
20 4D0N GDP 0.003373 0.43674 3.24324
21 1VG1 GDP 0.01041 0.41388 3.24324
22 4JOB TLA 0.003859 0.41342 3.28283
23 4U5X GNP 0.004421 0.44144 3.37079
24 4L6C 0BT 0.0291 0.40204 3.46535
25 1CZR FMN 0.01218 0.41662 3.5503
26 3WYA GDP 0.01464 0.40395 3.68664
27 4CNK FAD 0.02948 0.42055 3.83632
28 1JBW ACQ 0.02514 0.41718 3.97196
29 1Z4O GL1 0.01588 0.40635 4.0724
30 2VL8 CTS 0.000001466 0.62111 4.19048
31 2VL8 UDP 0.000001661 0.62111 4.19048
32 5FA6 NAP 0.0424 0.43104 4.19048
33 5FA6 FAD 0.04159 0.43104 4.19048
34 5FA6 FMN 0.04079 0.43104 4.19048
35 2FJU GSP 0.01186 0.42051 4.19048
36 3Q72 GNP 0.00556 0.42286 4.21687
37 5GXU FMN 0.007775 0.42765 4.21875
38 1UZD CAP 0.02733 0.40169 4.47761
39 4KVG GTP 0.007217 0.43914 4.7619
40 2D7C GTP 0.01425 0.423 4.79042
41 2BOI MFU 0.009491 0.4093 5.30973
42 1T26 NAI 0.04719 0.41249 5.59006
43 1HV9 UD1 0.03841 0.40398 5.70175
44 5UQK U2F 0.000003445 0.43769 5.71429
45 3ZM6 2GN 0.0192 0.41593 6.02151
46 1D5C GDP 0.007162 0.42825 6.17284
47 2AF6 FAD 0.01444 0.40623 6.20155
48 3RAB GNP 0.007813 0.43679 6.50888
49 1QF5 GDP 0.0394 0.42087 6.72854
50 1VG9 GDP 0.006937 0.42737 6.85714
51 2QZ3 XYP XYP XYP 0.02828 0.4036 7.02703
52 1Z0F GDP 0.009887 0.41497 7.26257
53 2GCO GNP 0.007921 0.42805 7.46269
54 3BEO UD1 0.03572 0.40469 7.73333
55 2VHJ ADP 0.01076 0.42231 7.85498
56 1UAD GNP 0.009588 0.43231 8.57143
57 4R8L ASP 0.01414 0.40199 8.83117
58 3WGT FAD 0.02008 0.43786 9.79827
59 2EW1 GNP 0.01458 0.41926 9.95025
60 2VDH CAP 0.02049 0.40848 10
61 2V63 CAP 0.02342 0.40531 10
62 2V6A CAP 0.02454 0.40258 10
63 4MIX UD1 0.01288 0.41196 10.119
64 4NCN GTP 0.01506 0.41822 10.2845
65 5BXQ GDP 0.01699 0.40304 11.0236
66 4K81 GTP 0.01079 0.43096 11.6959
67 1LFD GNP 0.00848 0.43547 11.976
68 2UZI GTP 0.008402 0.43535 12.0482
69 3DDC GNP 0.01336 0.42595 12.0482
70 1E96 GTP 0.006761 0.44025 12.5
71 1I4D GDP 0.009542 0.41078 12.5
72 2Q4H AMP 0.03395 0.405 12.8205
73 5IRC GDP 0.01331 0.41001 12.9353
74 1S8F GDP 0.01332 0.42772 12.9944
75 1DS6 GDP 0.004553 0.42954 13.0208
76 2P2V CSF 0.02632 0.40603 13.5417
77 3WYF GTP 0.009075 0.43647 13.8655
78 4D0G GTP 0.01199 0.42209 14.4928
79 3T5G GDP 0.008876 0.41945 15.1316
80 2EFE GNH 0.007279 0.42654 16.0221
81 2W2X GSP 0.01541 0.41432 17.7419
82 1RBL CAP 0.03015 0.40094 19.2661
83 2FFQ GSP 0.005464 0.44643 29.2398
84 1Z0A GDP 0.01356 0.41204 33.3333
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