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Receptor
PDB id Resolution Class Description Source Keywords
2QGI 1.65 Å EC: 7.-.-.- THE UDP COMPLEX STRUCTURE OF THE SIXTH GENE PRODUCT OF THE F OPERON OF RHODOBACTER BLASTICUS RHODOBACTER BLASTICUS MAJASTRIDIN ATPASE OPERON GLYCOSYL TRANSFERASE ROSSMANN FCOMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF A PROTEIN, STRUCTURALLY RELATE GLYCOSYLTRANSFERASES, ENCODED IN THE RHODOBACTER BL ATP OPERON. BIOCHIM.BIOPHYS.ACTA V.1784 379 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:300;
B:300;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
UDP B:800;
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
2QGI 1.65 Å EC: 7.-.-.- THE UDP COMPLEX STRUCTURE OF THE SIXTH GENE PRODUCT OF THE F OPERON OF RHODOBACTER BLASTICUS RHODOBACTER BLASTICUS MAJASTRIDIN ATPASE OPERON GLYCOSYL TRANSFERASE ROSSMANN FCOMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF A PROTEIN, STRUCTURALLY RELATE GLYCOSYLTRANSFERASES, ENCODED IN THE RHODOBACTER BL ATP OPERON. BIOCHIM.BIOPHYS.ACTA V.1784 379 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 2QGI - 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 250 families.
1 2QGI - 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 204 families.
1 2QGI - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
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 : 2QGI; Ligand: UDP; Similar sites found with APoc: 144
This union binding pocket(no: 1) in the query (biounit: 2qgi.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5O1I 9GH 1.36986
2 1UNB AKG 1.6129
3 1UNB PN1 1.6129
4 1D1G NDP 1.78571
5 5D48 L96 1.97368
6 5VN0 NAI 2.01613
7 5VN0 FAD 2.01613
8 1YKJ FAD 2.01613
9 5CPR SAM 2.01613
10 3JSX CC2 2.01613
11 3L9R L9Q 2.01613
12 3JSX FAD 2.01613
13 3GFS FMN 2.29885
14 1GA8 UPF 2.41935
15 1GA8 DEL 2.41935
16 1V59 FAD 2.41935
17 1J0D 5PA 2.41935
18 3OJO NAD 2.41935
19 1W96 S1A 2.41935
20 5TUK FAD 2.45098
21 3KLJ FAD 2.5974
22 3GDN FAD 2.82258
23 4JDR FAD 2.82258
24 6BSW CE6 2.82258
25 6BSW UDP 2.82258
26 1U1I NAD 2.82258
27 2RGJ FAD 2.82258
28 5AHS FAD 2.82258
29 2OO8 RAJ 2.82258
30 5BVE 4VG 3.22581
31 1VQW FAD 3.22581
32 2VNI A2P 3.22581
33 2VNI FAD 3.22581
34 3GFB NAD 3.22581
35 2GVC FAD 3.22581
36 2WPB ZZI 3.22581
37 2TPS TPS 3.52423
38 3CKJ CIT 3.62903
39 1V84 UDP 3.62903
40 6GWR FEW 3.62903
41 4Y30 49L 3.62903
42 1OBB NAD 3.62903
43 1P7T ACO 3.62903
44 5KZD RCJ 3.62903
45 4L2H AR6 AR6 3.62903
46 3RG9 WRA 3.75
47 3RG9 NDP 3.75
48 4RL4 PPV 3.77358
49 1F5F DHT 3.90244
50 2B3D FAD 3.92157
51 5VCM UDP 4.03226
52 1OMZ UD2 4.03226
53 4EIP FAD 4.03226
54 2YQS UD1 4.03226
55 2D7I UDP 4.03226
56 3QSB 743 4.03226
57 6A3J NAI 4.03226
58 4TXE 38F 4.03226
59 1FRW GTP 4.12371
60 2FZH DH1 4.36893
61 2BRY FAD 4.42656
62 1QGQ UDP 4.43548
63 4KQL 1SG 4.43548
64 2XVD AS6 4.43548
65 4L2I NAD 4.43548
66 4L2I FAD 4.43548
67 1KDK DHT 4.51977
68 6H21 UD1 4.83871
69 2J0B UDP 4.83871
70 2QA1 FAD 4.83871
71 4TXI FAD 4.83871
72 2Q7V FAD 4.83871
73 3KJS DQ1 4.83871
74 5ZCT ANP 4.83871
75 3CU0 GAL GAL SO4 5.24194
76 3CU0 UDP 5.24194
77 4A22 TD4 5.24194
78 3VRY B43 5.24194
79 6FXR UDP 5.24194
80 3DFR NDP 5.55556
81 4KM2 ATR 5.58659
82 4KM2 TOP 5.58659
83 2DKH FAD 5.64516
84 2DKH 3HB 5.64516
85 1MUU NAD 5.64516
86 3W9F I3P 5.64516
87 1MV8 NAD 5.64516
88 1LL2 UPG 6.04839
89 3U2U UDP 6.04839
90 2RCU BUJ 6.04839
91 3V91 UPG 6.04839
92 2E5A LAQ 6.04839
93 1HV9 UD1 6.04839
94 2CIG 1DG 6.28931
95 3IHG FAD 6.45161
96 3FPZ AHZ 6.45161
97 4IMG NGF 6.45161
98 4N02 FNR 6.45161
99 5BRT CH9 6.85484
100 5XDT ZI7 6.85484
101 5Y77 FAD 6.85484
102 1QKQ MAN 7.04225
103 6D6L FY4 7.05882
104 5UR0 NAD 7.16332
105 5W4W 9WG 7.25076
106 5NDF UDP 7.25806
107 5NDF LU2 7.25806
108 5AJP UDP 7.25806
109 2FFU UDP 7.25806
110 2P6W FLC 7.51174
111 4R81 FMN 7.76699
112 4X9M FAD 8.06452
113 4Z87 GDP 8.06452
114 3UBM COA 8.06452
115 2BZ1 TAU 8.16327
116 6G9I CXX 8.33333
117 2F5Z FAD 8.46774
118 1JV1 UD1 8.87097
119 3HB5 E2B 8.87097
120 1JGT CMA 9.67742
121 1JGT APC 9.67742
122 3FUU ADN 9.67742
123 2Q1W NAD 10.0806
124 1NAA 6FA 10.4839
125 2BSA FAD 10.4839
126 2BSA NAP 10.4839
127 5F7R GLC GLC 10.4839
128 5TZJ UD1 10.8871
129 6H0B UDP 11.2903
130 6FHO FAD 11.2903
131 5EB4 FAD 12.0968
132 4K55 H6P 12.0968
133 5X68 FAD 12.0968
134 1Q7E MET 12.3832
135 2APC UDM 12.9032
136 2BO4 FLC 12.9032
137 4A8H PUW 14.1129
138 4RPO T6C 14.3498
139 4ELG 52I 14.4578
140 4ELG 52J 14.4578
141 4DEC UDP 14.9194
142 4DEC 3PG 14.9194
143 5O3Q CMP 17.5
144 5DXV NAP 24.359
Pocket No.: 2; Query (leader) PDB : 2QGI; Ligand: UDP; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 2qgi.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2BP1 NDP 4.03226
2 3TTI KBI 4.03226
3 3OBT SLB 4.43548
4 1ULV ACR 4.83871
5 4A8T PAO 14.5161
Pocket No.: 3; Query (leader) PDB : 2QGI; Ligand: UDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2qgi.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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