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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: 117
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 U 0.78125 0.984615
6 UPU 0.72973 0.940298
7 2KH 0.722222 0.970149
8 44P 0.720588 0.955882
9 UFM 0.717949 0.941176
10 GDU 0.717949 0.941176
11 URM 0.717949 0.927536
12 660 0.717949 0.927536
13 UPG 0.717949 0.941176
14 GUD 0.717949 0.941176
15 UDP UDP 0.714286 0.939394
16 UPP 0.705128 0.941176
17 UDH 0.705128 0.864865
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UPF 0.691358 0.888889
21 UAD 0.670732 0.941176
22 UDX 0.670732 0.941176
23 3UC 0.658824 0.888889
24 USQ 0.654762 0.820513
25 UGB 0.654762 0.955224
26 UGA 0.654762 0.955224
27 G3N 0.647059 0.914286
28 UDM 0.636364 0.914286
29 URI 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 Y6W 0.607143 0.888889
33 CDP 0.605263 0.942029
34 HP7 0.591398 0.941176
35 UD7 0.591398 0.927536
36 MJZ 0.585106 0.914286
37 IUG 0.583333 0.810127
38 F5G 0.578947 0.927536
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 F5P 0.578947 0.914286
42 UD4 0.578947 0.914286
43 CJB 0.573529 0.820895
44 UDZ 0.571429 0.853333
45 DUD 0.571429 0.913043
46 UP5 0.571429 0.853333
47 U U 0.563218 0.955224
48 EPZ 0.56 0.914286
49 5GW 0.559524 0.942029
50 EPU 0.554455 0.901408
51 EEB 0.554455 0.901408
52 U3P 0.547945 0.939394
53 UA3 0.547945 0.939394
54 4TC 0.544554 0.831169
55 HF4 0.54321 0.942029
56 CTP 0.54321 0.942029
57 CSQ 0.531915 0.851351
58 CSV 0.531915 0.851351
59 DUT 0.52439 0.913043
60 4GW 0.516484 0.915493
61 UMA 0.513761 0.914286
62 U4S 0.513158 0.753425
63 U2P 0.506667 0.954545
64 U2S 0.5 0.767123
65 U3S 0.5 0.753425
66 PUP 0.48913 0.913043
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 U22 0.486957 0.790123
70 DKX 0.486486 0.746479
71 U1S 0.482759 0.75
72 A U 0.481132 0.805195
73 2QR 0.478632 0.822785
74 5FU 0.474359 0.914286
75 G U 0.472222 0.7875
76 8OD 0.47191 0.851351
77 C5G 0.468085 0.888889
78 7XL 0.465909 0.888889
79 U U U U 0.461538 0.940298
80 UMF 0.461538 0.857143
81 G8D 0.460674 0.855263
82 UTP U U U 0.456522 0.895522
83 2TU 0.452055 0.774648
84 4RA 0.451613 0.855263
85 C2G 0.450549 0.901408
86 DU 0.45 0.898551
87 UMP 0.45 0.898551
88 C 0.45 0.927536
89 CAR 0.45 0.927536
90 C5P 0.45 0.927536
91 UAG 0.448 0.864865
92 CDC 0.446809 0.777778
93 5BU 0.444444 0.914286
94 UD0 0.444444 0.844156
95 N3E 0.440476 0.733333
96 UC5 0.440476 0.9
97 UUA 0.438356 0.772727
98 DUP 0.431818 0.887324
99 2GW 0.431373 0.901408
100 M7G 0.430108 0.780488
101 CNU 0.428571 0.927536
102 CDM 0.427083 0.842105
103 H6Y 0.425532 0.851351
104 16B 0.421687 0.888889
105 S5P 0.419753 0.915493
106 8GT 0.419355 0.855263
107 CXY 0.418367 0.888889
108 UPA 0.418182 0.842105
109 U2G 0.410714 0.822785
110 U A A U 0.409836 0.842105
111 UML 0.408759 0.810127
112 UP6 0.407407 0.871429
113 M7M 0.40625 0.771084
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
117 PMP UD1 0.401575 0.7875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3H4T; Ligand: UDP; Similar sites found with APoc: 110
This union binding pocket(no: 1) in the query (biounit: 3h4t.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4X7R UDP 1.23762
2 4X7R 3YW 1.23762
3 4X7R NTO 1.23762
4 2E5V FAD 1.23762
5 3EYA TDP 1.9802
6 6GAS FAD 2.1148
7 4X1T UDP 2.22772
8 1Q9I TEO 2.22772
9 1Q9I FAD 2.22772
10 4PQG UDP 2.22772
11 1KC7 PPR 2.22772
12 5XVR TRH 2.34375
13 6EJI UD2 2.41287
14 2VCH UDP 2.47525
15 4WBD CIT 2.47525
16 1DNP MHF 2.47525
17 1ON3 DXX 2.47525
18 4M00 SUC 2.47525
19 2CBZ ATP 2.53165
20 4EN4 ATP 2.5641
21 4EN4 GT1 2.5641
22 4EN4 GT0 2.5641
23 5EXA 5SO 2.6087
24 5NV8 TRH 2.82051
25 5AJU RP5 2.91971
26 3KC1 2T6 2.96736
27 2WPF FAD 2.9703
28 2WTX VDO 2.9703
29 2WTX UDP 2.9703
30 1D1G NDP 2.97619
31 5NM7 GLY 3.00752
32 3EEL 53T 3.0837
33 2WQ4 SFU 3.20513
34 1J78 OLA 3.27511
35 2VN9 GVD 3.32226
36 5MB4 NAG 3.49127
37 5A1S FLC 3.71287
38 2J5V PCA 3.81471
39 2IW1 U2F 4.01069
40 4XZ3 ACP 4.34783
41 5TWB FAD 4.36047
42 1T9D P22 4.45545
43 4RJD TFP 4.54545
44 5IXB LGA 4.62963
45 1YQT ADP 4.70297
46 5W6Y TRP 4.74684
47 4TQK NAG 4.92611
48 3IA4 NDP 4.93827
49 6CWH 6LA 4.94506
50 2ACV UDP 4.9505
51 1QM5 PLP 4.9505
52 3LZW NAP 5.12048
53 2GN3 MMA 5.15873
54 1Q8Q MAN MMA 5.15873
55 1UKG MMA 5.15873
56 1Q8S MAN MMA 5.15873
57 2GN3 MAN 5.15873
58 1Q8V MAN MAN 5.15873
59 2PHX MAN MAN 5.15873
60 6BK3 UDP 5.19802
61 2QZS 250 5.44554
62 2QZS GLC 5.44554
63 2QZS ADP 5.44554
64 4G86 BNT 5.6338
65 5V2J 7WV 5.69307
66 5V2J UDP 5.69307
67 3HQP OXL 5.69307
68 5ESO TDP 5.69307
69 5ESO ISC 5.69307
70 1AOE GW3 5.72917
71 1AOE NDP 5.72917
72 1KOL NAD 5.77889
73 4NTO 1PW 5.7971
74 3S2U UD1 6.0274
75 2BO4 FLC 6.18812
76 1VAY AZA 6.27178
77 3HBF UDP 6.68317
78 3HBF MYC 6.68317
79 1YBH P22 6.93069
80 2OG2 MLI 6.96379
81 3OTI TYD 7.28643
82 1KNR FAD 7.42574
83 3FJG 3PG 7.56972
84 2PZE ATP 7.86026
85 4WZ6 ATP 7.93103
86 2HXW FLC 8.01688
87 3CL7 HYN 8.11688
88 3UYK 0CX 8.26873
89 5WS9 OXL 8.41584
90 5ZI9 FLC 8.84615
91 5AOA PPI 9.09091
92 6HKE LMR 9.74843
93 6HKE MLT 9.74843
94 4XSU GLC 10.567
95 4XSU UDP 10.567
96 3RSC TYD 11.3253
97 3OTH CLJ 12.1359
98 3OTH TYD 12.1359
99 3IAA TYD 12.2596
100 1Q7L GLY 12.5
101 1NLM UD1 14.5604
102 5ODQ 9SB 15.2174
103 4REL KMP 15.5941
104 2C1X UDP 16.3366
105 1KJ1 MAN 16.5138
106 5WXK TYD 17.1429
107 2IYF UDP 17.3267
108 2IYA UDP 17.8218
109 4WGF HX2 20.9756
110 4RIF 3R2 34.3008
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