Receptor
PDB id Resolution Class Description Source Keywords
3H4T 1.15 Å EC: 2.4.-.- CHIMERIC GLYCOSYLTRANSFERASE FOR THE GENERATION OF NOVEL NAT PRODUCTS - GTFAH1 IN COMPLEX WITH UDP-2F-GLC AMYCOLATOPSIS ORIENTALIS, ACTINOPLANESTEICHOMYCETICUS GLYCOSYLTRANSFERASE VANCOMYCIN TEICOPLANIN GTFA ORF1 NAPRODUCTS ANTIBIOTIC TRANSFERASE
Ref.: CHIMERIC GLYCOSYLTRANSFERASES FOR THE GENERATION OF GLYCOPEPTIDES CHEM.BIOL. V. 16 676 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA LYS LEU ALA ALA ALA LEU GLU A:533;
Invalid;
none;
submit data n/a n/a n/a n/a
PO4 A:600;
A:601;
A:602;
A:603;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
UDP A:604;
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
3H4T 1.15 Å EC: 2.4.-.- CHIMERIC GLYCOSYLTRANSFERASE FOR THE GENERATION OF NOVEL NAT PRODUCTS - GTFAH1 IN COMPLEX WITH UDP-2F-GLC AMYCOLATOPSIS ORIENTALIS, ACTINOPLANESTEICHOMYCETICUS GLYCOSYLTRANSFERASE VANCOMYCIN TEICOPLANIN GTFA ORF1 NAPRODUCTS ANTIBIOTIC TRANSFERASE
Ref.: CHIMERIC GLYCOSYLTRANSFERASES FOR THE GENERATION OF GLYCOPEPTIDES CHEM.BIOL. V. 16 676 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3H4I - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
2 3H4T - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3H4I - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
2 3H4T - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3H4I - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
2 3H4T - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 1RRV - MLU OMZ ASN GHP GHP OMY 3FG BGC n/a n/a
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 : 3H4T; Ligand: UDP; Similar sites found: 53
This union binding pocket(no: 1) in the query (biounit: 3h4t.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4X7R UDP 0.001596 0.43174 1.23762
2 3EYA TDP 0.006326 0.40568 1.9802
3 2XBL M7P 0.01207 0.40008 2.0202
4 4X1T UDP 0.0001433 0.48757 2.22772
5 4PQG UDP 0.002835 0.41725 2.22772
6 1KC7 PPR 0.01296 0.4132 2.22772
7 2VCH UDP 0.000004043 0.4857 2.47525
8 4WBD CIT 0.002903 0.4667 2.47525
9 1DNP MHF 0.01063 0.42632 2.47525
10 4M00 SUC 0.03444 0.40018 2.47525
11 2CBZ ATP 0.02228 0.40525 2.53165
12 2CJZ PTR 0.02003 0.40716 2.95082
13 2WTX VDO 0.01504 0.4016 2.9703
14 2WTX UDP 0.01363 0.40138 2.9703
15 1D1G NDP 0.006688 0.40313 2.97619
16 2WQ4 SFU 0.008358 0.43087 3.20513
17 1J78 OLA 0.02149 0.41571 3.27511
18 2VN9 GVD 0.02116 0.40765 3.32226
19 2J5V PCA 0.02269 0.41865 3.81471
20 4RJD TFP 0.0265 0.40271 4.54545
21 5IXB LGA 0.0155 0.41615 4.62963
22 1YQT ADP 0.03191 0.40156 4.70297
23 2ACV UDP 0.00002769 0.52629 4.9505
24 1QM5 PLP 0.0148 0.4094 4.9505
25 2GN3 MMA 0.004502 0.42359 5.15873
26 1Q8Q MAN MMA 0.01609 0.4114 5.15873
27 1Q8S MAN MMA 0.01753 0.40894 5.15873
28 2GN3 MAN 0.007921 0.40772 5.15873
29 5TME UDP 0.000008987 0.56389 5.19802
30 5V2J 7WV 0.0000004744 0.49321 5.69307
31 5V2J UDP 0.0000004744 0.49321 5.69307
32 3S2U UD1 0.000005241 0.52771 6.0274
33 3HBF UDP 0.0001966 0.46658 6.68317
34 3HBF MYC 0.00007113 0.40918 6.68317
35 1YBH P22 0.01868 0.40212 6.93069
36 2OG2 MLI 0.04228 0.4018 6.96379
37 3OTI TYD 0.00002399 0.50017 7.28643
38 3UYK 0CX 0.003319 0.42971 8.26873
39 5AOA PPI 0.01734 0.41799 9.09091
40 4XSU UDP 0.002729 0.42127 10.567
41 4XSU GLC 0.002729 0.42127 10.567
42 3RSC TYD 0.00002243 0.50139 11.3253
43 3OTH TYD 0.000009863 0.5403 12.1359
44 3OTH CLJ 0.000006858 0.41002 12.1359
45 3IAA TYD 0.00002938 0.50169 12.2596
46 1NLM UD1 0.0009471 0.44586 14.5604
47 4REL KMP 0.0000578 0.42455 15.5941
48 2C1X UDP 0.000009635 0.42765 16.3366
49 1KJ1 MAN 0.009094 0.43118 16.5138
50 2IYF UDP 0.0002492 0.47666 17.3267
51 2IYA UDP 0.000003068 0.55636 17.8218
52 4WGF HX2 0.01549 0.41573 20.9756
53 4RIF 3R2 0.00007506 0.44876 34.3008
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