Receptor
PDB id Resolution Class Description Source Keywords
3Q3H 2.25 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE ACTINOBACILLUS PLEUROPNEUMONIAE HMW GLYCOSYLTRANSFERASE IN COMPLEX WITH UDP-GLC ACTINOBACILLUS PLEUROPNEUMONIAE SEROVAORGANISM_TAXID: 228399 HMW1C HMW1 N-GLYCOSYLATION TRANSFERASE
Ref.: STRUCTURAL INSIGHTS INTO THE GLYCOSYLTRANSFERASE AC THE ACTINOBACILLUS PLEUROPNEUMONIAE HMW1C-LIKE PROT J.BIOL.CHEM. V. 286 38546 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:622;
B:623;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
UDP A:621;
B:621;
Valid;
Valid;
none;
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
3Q3H 2.25 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE ACTINOBACILLUS PLEUROPNEUMONIAE HMW GLYCOSYLTRANSFERASE IN COMPLEX WITH UDP-GLC ACTINOBACILLUS PLEUROPNEUMONIAE SEROVAORGANISM_TAXID: 228399 HMW1C HMW1 N-GLYCOSYLATION TRANSFERASE
Ref.: STRUCTURAL INSIGHTS INTO THE GLYCOSYLTRANSFERASE AC THE ACTINOBACILLUS PLEUROPNEUMONIAE HMW1C-LIKE PROT J.BIOL.CHEM. V. 286 38546 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 3Q3H - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
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 3Q3H - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
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 3Q3H - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 3Q3H; Ligand: UDP; Similar sites found: 74
This union binding pocket(no: 1) in the query (biounit: 3q3h.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2C42 PYR 0.01974 0.42041 1.26783
2 2C42 TPP 0.01974 0.42041 1.26783
3 2VF7 ADP 0.01765 0.40031 1.58479
4 1NLM UD1 0.006568 0.42824 1.64835
5 5L01 6Z4 0.01051 0.42502 1.8018
6 4U63 FAD 0.03419 0.40518 1.80723
7 1VGV UD1 0.000757 0.49103 1.82292
8 1RZU ADP 0.00528 0.40003 1.85567
9 1F6D UDP 0.0003787 0.48028 1.8617
10 1U3D FAD 0.02371 0.41367 1.96464
11 4B0T ADP 0.02242 0.4109 2.0284
12 5TME UDP 0.005523 0.42297 2.14133
13 2RGO FAD 0.03808 0.41236 2.14168
14 4X1T UDP 0.007173 0.42425 2.20588
15 3RHZ UDP 0.006851 0.42928 2.35988
16 2IYF UDP 0.00232 0.42617 2.40964
17 1NHX PEP 0.02511 0.426 2.56
18 2GMV UN8 0.01744 0.41943 2.56
19 1J39 UPG 0.02592 0.41161 2.5641
20 2XD3 GLC GLC GLC GLC GLC GLC GLC 0.02802 0.40581 2.64423
21 5X8G S0N 0.02557 0.4297 2.68041
22 4GU5 FAD 0.007721 0.43949 2.78293
23 2E5A LAQ 0.03163 0.40699 2.88184
24 4PX9 ADP 0.003278 0.44136 3.08219
25 3CGD NAD 0.04865 0.42992 3.33333
26 3CGD COA 0.04865 0.42992 3.33333
27 3CGD FAD 0.04865 0.42992 3.33333
28 4M7V RAR 0.03779 0.41779 3.42857
29 4M7V NAP 0.02323 0.41779 3.42857
30 2J4D FAD 0.02407 0.41332 3.42857
31 4ANP 3QI 0.02964 0.41093 3.7037
32 3C1O NAP 0.03251 0.4024 3.73832
33 4JWH SAH 0.02319 0.41013 3.83387
34 1NP7 FAD 0.01262 0.4282 3.88548
35 1PVS 7HP 0.003638 0.43564 3.90071
36 1DR1 NAP 0.03938 0.41155 4.2328
37 1DR1 HBI 0.03938 0.41155 4.2328
38 4DJA DLZ 0.03608 0.42423 4.2471
39 4DJA FAD 0.03608 0.42423 4.2471
40 2ACV UDP 0.01182 0.41123 4.75162
41 5LWV UDP 0.0001741 0.52623 4.91284
42 4N39 UDP 0.00006888 0.52557 4.91284
43 5BNW 12V 0.0002994 0.52147 4.91284
44 4GYW UDP 0.02271 0.44521 4.91284
45 3CV3 UDP 0.0001288 0.5145 4.92611
46 4NES UDP 0.0004586 0.48666 5.08021
47 2WTX UDP 0.02825 0.41649 5.27426
48 2WTX VDO 0.03507 0.40925 5.27426
49 3OKP GDD 0.00103 0.42161 5.32995
50 3BEO UDP 0.002122 0.45085 5.33333
51 5V2J 7WV 0.0206 0.4206 5.34521
52 5V2J UDP 0.0206 0.4206 5.34521
53 2PHN GDP 0.01806 0.41435 5.51181
54 2VCH UDP 0.03534 0.40441 5.625
55 1WWZ ACO 0.03883 0.40222 6.91824
56 5TA6 79D 0.02471 0.41142 6.98324
57 2BL9 CP6 0.04877 0.40547 7.14286
58 2BL9 NDP 0.04877 0.40547 7.14286
59 1QJI PKF 0.01323 0.41085 7.5
60 3DVA TPW 0.02362 0.41111 7.69231
61 3SIG AR6 0.0281 0.40125 7.94224
62 1LCF OXL 0.02611 0.40502 8.24891
63 5W4W 9WG 0.04369 0.40067 8.76133
64 3LQV ADE 0.0008216 0.4614 9.56522
65 4CNG SAH 0.01116 0.42967 10.1961
66 4XSU GLC 0.01336 0.42415 11.0825
67 4XSU UDP 0.01386 0.42331 11.0825
68 3HBF UDP 0.007757 0.42838 11.2335
69 3HBF MYC 0.01853 0.42644 11.2335
70 4JWJ SAH 0.03284 0.40075 11.8812
71 1JUV NDP 0.03116 0.40606 11.9171
72 2JLB UDM 0.00001483 0.57854 15.669
73 1W85 TDP 0.01746 0.41197 18.3673
74 3OKA GDD 0.0006747 0.46794 28.5714
Pocket No.: 2; Query (leader) PDB : 3Q3H; Ligand: UDP; Similar sites found: 13
This union binding pocket(no: 2) in the query (biounit: 3q3h.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4USF 6UI 0.007391 0.42519 2.30263
2 1NHX FTB 0.01893 0.42536 2.56
3 4Y93 746 0.01081 0.41855 2.69058
4 1M5B BN1 0.03662 0.43827 3.04183
5 1RYO OXL 0.01436 0.41041 3.36391
6 4WHZ 3NL 0.03388 0.41441 3.63636
7 5U6C 7YS 0.02035 0.4003 4.7619
8 3B1F NAD 0.009731 0.41769 5.51724
9 2IW1 U2F 0.02743 0.40112 5.88235
10 5G3U FDA 0.03576 0.40721 5.91017
11 4RRG A3T 0.01506 0.40324 7.0922
12 1S1D GP2 0.01346 0.40375 7.25076
13 4BCM T7Z 0.01421 0.40064 8.9701
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