Receptor
PDB id Resolution Class Description Source Keywords
2FYD 2 Å EC: 2.4.1.22 CATALYTIC DOMAIN OF BOVINE BETA 1, 4-GALACTOSYLTRANSFERASE IN COMPLEX WITH ALPHA-LACTALBUMIN, GLUCOSE, MN, AND UDP-N- A CETYLGALACTOSAMINE MUS MUSCULUS LACTOSE SYTHASE CATALYTIC INTERMEDIATE TRANSFERASE
Ref.: STRUCTURAL SNAPSHOTS OF BETA-1,4-GALACTOSYLTRANSFERASE-I ALONG THE KINETIC PATHWAY. J.MOL.BIOL. V. 357 1619 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC B:403;
D:530;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
CA A:124;
C:526;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MES A:805;
C:806;
Invalid;
Invalid;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
MN B:405;
D:527;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
NGA B:404;
D:529;
Valid;
Valid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
PG4 A:850;
C:851;
Invalid;
Invalid;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
UDP B:406;
D:528;
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
1YRO 1.9 Å EC: 2.4.1.22 CRYSTAL STRUCTURE OF BETA14,-GALACTOSYLTRANSFERASE MUTANT ARG228LYS IN COMPLEX WITH ALPHA-LACTALBUMIN IN THE P RESENCE OF UDP-GALACTOSE AND MN MUS MUSCULUS ARG228LYS MUTATION; UDP-GAL COMPLEX TRANSFERASE ACTIVATOR/TRANSFERASE COMPLEX
Ref.: MUTATION OF ARGININE 228 TO LYSINE ENHANCES THE GLUCOSYLTRANSFERASE ACTIVITY OF BOVINE BETA-1,4-GALACTOSYLTRANSFERASE I BIOCHEMISTRY V. 44 3202 2005
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1NHE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1YRO - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
3 1NF5 - BGC C6 H12 O6 C([C@@H]1[....
4 1O23 - GUD C15 H24 N2 O17 P2 C1=CN(C(=O....
5 2FYC - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
6 1PZY - NAG C8 H15 N O6 CC(=O)N[C@....
7 1NMM - NAG C8 H15 N O6 CC(=O)N[C@....
8 1NWG - BGN C10 H19 N O6 CCCC(=O)N[....
9 2FYD - NGA C8 H15 N O6 CC(=O)N[C@....
10 1NKH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 1OQM - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
12 1NQI - NAG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NHE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1YRO - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
3 1NF5 - BGC C6 H12 O6 C([C@@H]1[....
4 1O23 - GUD C15 H24 N2 O17 P2 C1=CN(C(=O....
5 2FYC - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
6 1PZY - NAG C8 H15 N O6 CC(=O)N[C@....
7 1NMM - NAG C8 H15 N O6 CC(=O)N[C@....
8 1NWG - BGN C10 H19 N O6 CCCC(=O)N[....
9 2FYD - NGA C8 H15 N O6 CC(=O)N[C@....
10 1NKH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 1OQM - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
12 1NQI - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1NHE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1YRO - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
3 1NF5 - BGC C6 H12 O6 C([C@@H]1[....
4 1O23 - GUD C15 H24 N2 O17 P2 C1=CN(C(=O....
5 2FYC - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
6 1PZY - NAG C8 H15 N O6 CC(=O)N[C@....
7 1NMM - NAG C8 H15 N O6 CC(=O)N[C@....
8 1NWG - BGN C10 H19 N O6 CCCC(=O)N[....
9 2FYD - NGA C8 H15 N O6 CC(=O)N[C@....
10 1NKH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 1OQM - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
12 1NQI - NAG C8 H15 N O6 CC(=O)N[C@....
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: NGA; Similar ligands found: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG 1 1
2 HSQ 1 1
3 NGA 1 1
4 A2G 1 1
5 NDG 1 1
6 BM3 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 GAL NGA A2G 0.614035 0.816327
11 STZ 0.612245 0.65
12 16G 0.591837 0.735849
13 BMX 0.591837 0.735849
14 4QY 0.591837 0.735849
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NAG GDL 0.54386 0.833333
18 CBS 0.54386 0.833333
19 CBS CBS 0.54386 0.833333
20 NAG NDG 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 2F8 0.530612 0.909091
24 MAG 0.530612 0.909091
25 NLC 0.517857 0.888889
26 GAL NDG 0.517857 0.888889
27 NDG GAL 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 MAN NAG 0.508772 0.888889
32 4UZ 0.508475 0.808511
33 NDG NAG NAG 0.508197 0.816327
34 CTO 0.508197 0.816327
35 NAG NAG NDG 0.508197 0.816327
36 NAG NAG NAG NDG 0.508197 0.816327
37 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
38 NDG NAG NAG NDG 0.508197 0.816327
39 NAG NAG NAG NAG 0.508197 0.816327
40 NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NDG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 NDG NAG NAG NDG NAG 0.508197 0.816327
44 NDG NAG NAG NAG 0.508197 0.816327
45 NAG NAG NAG NAG NDG 0.508197 0.816327
46 NAG NAG NAG NAG NAG 0.508197 0.816327
47 NBG 0.5 0.951219
48 MQG 0.5 0.698113
49 A2G GAL 0.491228 0.888889
50 GAL A2G 0.491228 0.888889
51 GAL NGA 0.491228 0.888889
52 AMU 0.490909 0.930233
53 GN1 0.490566 0.754717
54 NG1 0.490566 0.754717
55 NDG NAG 0.47541 0.816327
56 NAG GAL 0.474576 0.888889
57 NGA GAL 0.474576 0.888889
58 NAG FUC 0.474576 0.866667
59 GAL NAG 0.474576 0.888889
60 NAG GAL NAG 0.455882 0.833333
61 FUC NAG 0.45 0.888889
62 3YW 0.448276 0.930233
63 GLA GAL NAG 0.446154 0.888889
64 MAN BMA NAG 0.446154 0.888889
65 NAG GAL GAL 0.446154 0.888889
66 FUL GAL NAG 0.426471 0.869565
67 G6S NAG 0.426471 0.677966
68 DR2 0.426471 0.869565
69 FUC GAL NDG 0.426471 0.869565
70 FUC GAL NAG 0.426471 0.869565
71 NDG GAL FUC 0.426471 0.869565
72 GYU 0.42623 0.740741
73 TNR 0.42623 0.833333
74 NAG BDP 0.421875 0.851064
75 NAG MBG 0.419355 0.851064
76 NGA GAL BGC 0.41791 0.888889
77 NAG NAG 0.415385 0.784314
78 AZC 0.415094 0.795918
79 SN5 SN5 0.412698 0.705882
80 MBG A2G 0.412698 0.851064
81 A2G MBG 0.412698 0.851064
82 HS2 0.411765 0.8125
83 5AX 0.411765 0.866667
84 6ZC 0.409091 0.655738
85 LEC 0.409091 0.655738
86 GAL BGC NAG GAL 0.408451 0.888889
87 TCG 0.408451 0.689655
88 CTO TMX 0.408451 0.689655
89 NAG NAG NAG NAG NAG NAG NAG 0.407895 0.740741
90 BMA 0.404762 0.7
91 WOO 0.404762 0.7
92 ALL 0.404762 0.7
93 GLA 0.404762 0.7
94 MAN 0.404762 0.7
95 GAL 0.404762 0.7
96 GLC 0.404762 0.7
97 GXL 0.404762 0.7
98 GIV 0.404762 0.7
99 BGC 0.404762 0.7
100 NAG AMU 0.402778 0.8
101 NAG MUB 0.402778 0.8
102 A2G GAL FUC 0.4 0.869565
103 DR3 0.4 0.869565
104 NAG GAL FUC 0.4 0.869565
105 FUC GL0 A2G 0.4 0.869565
106 A2G GLA FUC 0.4 0.869565
107 FUC GAL A2G 0.4 0.869565
108 NGA GAL FUC 0.4 0.869565
109 FUC GLA A2G 0.4 0.869565
Ligand no: 3; 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 : 1YRO; Ligand: GDU; Similar sites found: 13
This union binding pocket(no: 1) in the query (biounit: 1yro.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CBZ ATP 0.04061 0.41096 5.06329
2 5TZJ UD1 0.000125 0.42277 5.69106
3 1GA8 UPF 0.003453 0.41782 5.69106
4 1JI0 ATP 0.03749 0.41177 5.69106
5 4AG5 ADP 0.02796 0.42013 7.31707
6 5FJJ MAN 0.02328 0.42047 8.13008
7 2J5V PCA 0.04604 0.41631 8.94309
8 4PQG NAG 0.03147 0.40822 8.94309
9 1LL2 UPG 0.002213 0.43869 10.1399
10 1D8C GLV 0.03225 0.40321 12.5874
11 5UQK U2F 0.01226 0.40008 14.6853
12 2VOH CIT 0.02492 0.40706 26.9231
13 4IRP UDP 0.00000001753 0.40393 43.4263
Pocket No.: 2; Query (leader) PDB : 1YRO; Ligand: UDP; Similar sites found: 142
This union binding pocket(no: 2) in the query (biounit: 1yro.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.005725 0.41503 None
2 5OO5 UUA 0.02 0.40206 None
3 4GID 0GH 0.03251 0.42311 2.0979
4 4R4U COA 0.01451 0.40974 3.14685
5 4JNA FAD 0.04284 0.41747 3.25203
6 3Q60 ATP 0.01248 0.41413 3.25203
7 1IOW PHY 0.03901 0.40728 3.25203
8 1IOW ADP 0.03901 0.40728 3.25203
9 5DMZ ADP 0.02347 0.40228 3.25203
10 4CQE CQE 0.02627 0.40175 3.25203
11 5DEY 59T 0.01673 0.43328 3.4965
12 1PA9 CSN 0.00853 0.41337 3.52113
13 4JEM C5P 0.02829 0.40664 3.52941
14 3G5S FAD 0.007784 0.4535 4.06504
15 5W4W 9WG 0.01629 0.42045 4.06504
16 4KBA 1QM 0.02446 0.41514 4.06504
17 4EHU ANP 0.02604 0.40642 4.06504
18 4CZG QH3 0.04725 0.40178 4.06504
19 4CZG ADP 0.04553 0.40178 4.06504
20 2Q09 DI6 0.01625 0.40158 4.06504
21 2YCH ATP 0.00342 0.44081 4.1958
22 2YAB AMP 0.0008809 0.47416 4.54545
23 3CGB FAD 0.02877 0.42361 4.54545
24 4A59 AMP 0.003607 0.44893 4.87805
25 4WVO 3UZ 0.006898 0.4363 4.87805
26 1F76 ORO 0.004087 0.42578 4.87805
27 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 0.01672 0.40947 4.87805
28 3W7T BMA 0.01681 0.40686 4.87805
29 4L4J NAG NAG BMA MAN NAG 0.003779 0.40595 4.87805
30 2E2P ADP 0.02884 0.40555 4.87805
31 4X9M FAD 0.02505 0.42525 4.8951
32 3PE2 E1B 0.03244 0.42727 5.04451
33 3WHB DCC 0.04262 0.40148 5.15464
34 3D91 REM 0.01511 0.48129 5.24476
35 4C12 ADP 0.0137 0.46112 5.24476
36 4C12 UML 0.006376 0.46112 5.24476
37 1GR0 NAD 0.02648 0.41508 5.24476
38 5EOB 5QQ 0.002135 0.49551 5.69106
39 5U7W ADE 0.0006028 0.48187 5.69106
40 1E8C UAG API 0.02601 0.42196 5.69106
41 5TIV A3P 0.02322 0.41168 5.69106
42 4BGB ADP 0.02539 0.40936 5.69106
43 5MJA 7O3 0.01382 0.40915 5.69106
44 2NXW TPP 0.0213 0.40892 5.69106
45 3E0M SER HIS MET ALA GLU ILE 0.01425 0.40492 5.69106
46 1LUA NAP 0.02801 0.40468 5.69106
47 2XVD AS6 0.03298 0.40232 5.69106
48 2YHW BM3 0.002394 0.47242 5.94406
49 4RHP PEF 0.0169 0.40514 5.95745
50 4CSV STI 0.02121 0.40655 6.18182
51 3WQT ANP 0.0008233 0.48886 6.50407
52 4A2A ATP 0.007781 0.43655 6.50407
53 4YZC STU 0.01566 0.42443 6.50407
54 4EUE NAI 0.0278 0.42328 6.50407
55 4A2B AGS 0.009187 0.42145 6.50407
56 3WBD SIA SIA SIA SIA SIA SIA SIA 0.006759 0.41878 6.50407
57 5GZ9 ANP 0.01786 0.41046 6.50407
58 2GQS ADP 0.0139 0.40841 6.50407
59 3KDU NKS 0.0415 0.40729 6.50407
60 2Y6O 1N1 0.02045 0.4068 6.50407
61 4MWV BCZ 0.01901 0.40461 6.50407
62 4IIL RBF 0.02848 0.40177 6.50407
63 3FG2 FAD 0.04862 0.40058 6.50407
64 2GQR ADP 0.01499 0.40009 6.50407
65 2XZI KDM 0.00754 0.42923 6.64336
66 1XHL NDP 0.04198 0.42523 6.99301
67 5T79 NDP 0.02509 0.40869 6.99301
68 5EOU ATP 0.005334 0.45374 7.31707
69 5JFS 6K0 0.01226 0.44001 7.31707
70 4TWP AXI 0.03411 0.42935 7.31707
71 3I0O ADP 0.009886 0.42281 7.31707
72 1A59 COA 0.009161 0.42041 7.31707
73 3NJQ NJQ 0.009634 0.41475 7.31707
74 5A65 TPP 0.0187 0.41185 7.31707
75 3WXL ADP 0.01065 0.40732 7.31707
76 5BYZ 4WE 0.03217 0.40483 7.31707
77 5VC5 96M 0.00762 0.43681 7.34266
78 2OO8 RAJ 0.01183 0.41594 7.69231
79 4M20 COA 0.02008 0.4165 7.87402
80 1PG4 PRX 0.01888 0.42863 8.13008
81 1PG4 COA 0.01888 0.42863 8.13008
82 4LNU GTP 0.02439 0.40305 8.13008
83 2X4Z X4Z 0.04469 0.40052 8.13008
84 3HKW IX6 0.01423 0.43902 8.39161
85 4OH4 ANP 0.0255 0.40696 8.39161
86 3R1V AZB 0.03401 0.40076 8.66142
87 2JDR L20 0.03742 0.41158 8.74126
88 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.03742 0.41158 8.74126
89 3E7O 35F 0.02569 0.41146 8.74126
90 3NTA FAD 0.03951 0.41515 8.94309
91 1Q19 APC 0.02419 0.41345 8.94309
92 5D63 FUC GAL GLA 0.04176 0.41016 8.94309
93 4ZW9 GLC 0.01923 0.40745 8.94309
94 4ZW9 BGC 0.01923 0.40745 8.94309
95 3VSV XYP 0.01662 0.40521 8.94309
96 4A62 ANP 0.01686 0.41941 9.44056
97 3L2B B4P 0.01594 0.42432 9.7561
98 2B9W FAD 0.04538 0.41741 9.7561
99 4S15 4D8 0.0229 0.40668 9.7561
100 2Y6Q FAD 0.04279 0.40094 9.7561
101 1Q8Y ADP 0.01002 0.43291 10.1399
102 5ITZ GTP 0.02302 0.40623 10.2362
103 3UIM ANP 0.01091 0.42143 10.5691
104 3QCQ 3Q0 0.04341 0.42047 10.5691
105 3GDQ ADP 0.03249 0.40061 10.5691
106 1XCL SAH 0.04983 0.41406 10.6383
107 3AAQ ARU 0.004097 0.47557 11.3821
108 5IH1 6BQ 0.005648 0.47195 11.3821
109 5IH1 GDP 0.005648 0.47195 11.3821
110 2ZB3 NDP 0.03043 0.4198 11.3821
111 1MOQ GLP 0.0235 0.41495 11.3821
112 5DXT 5H5 0.01612 0.41418 11.3821
113 5HV7 RBL 0.00005702 0.44749 12.1951
114 1M13 HYF 0.02177 0.41571 12.1951
115 4JNE ATP 0.02095 0.41296 12.1951
116 4B9Q ATP 0.01979 0.40783 12.1951
117 3QKT ANP 0.02781 0.40653 12.1951
118 4BCM T7Z 0.01117 0.40427 12.1951
119 2F9L GDP 0.03261 0.40005 12.1951
120 4CJX NAP 0.001896 0.48101 13.0081
121 1PS9 FAD 0.01019 0.44557 13.0081
122 5B48 TDN 0.01524 0.42853 13.0081
123 2C0U FAD NBT 0.03841 0.40668 13.8211
124 2R5T ANP 0.02668 0.40587 13.8211
125 2VBF TPP 0.03211 0.40548 14.6341
126 3EWK FAD 0.03306 0.40098 14.6341
127 5NCY 8TK 0.04304 0.40149 15.4472
128 4BKJ STI 0.003748 0.44901 16.2602
129 3OZ2 OZ2 0.01116 0.44604 16.2602
130 4FE2 ADP 0.01036 0.41826 16.2602
131 3VGL ANP 0.02226 0.40682 17.8862
132 1TQP ATP 0.02251 0.40383 17.8862
133 4P7X YCP 0.01488 0.41719 18.6992
134 4P7X AKG 0.01488 0.41719 18.6992
135 3SUD SUE 0.02494 0.40279 19.7044
136 1NRL SRL 0.02536 0.40258 20
137 2NVA PL2 0.03179 0.40598 23.5772
138 5NTW 98N 0.03197 0.41263 30
139 5K2M ADP 0.02436 0.40159 30.0813
140 1N4H REA 0.02637 0.40701 33.3333
141 3EBL GA4 0.03854 0.40012 34.9594
142 2P54 735 0.03026 0.4166 41.6667
Pocket No.: 3; Query (leader) PDB : 1YRO; Ligand: UDP; Similar sites found: 56
This union binding pocket(no: 3) in the query (biounit: 1yro.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JAL SAH 0.02391 0.40776 2.99401
2 3EKK GS2 0.04471 0.40674 3.14685
3 4BFM ANP 0.009466 0.41643 3.25203
4 4N9I PCG 0.03459 0.4268 3.33333
5 2J83 BAT 0.01817 0.40264 4.06504
6 3VHE 42Q 0.04703 0.4014 4.06504
7 5L92 C0R 0.02622 0.4186 4.1958
8 4PO2 ASN ARG LEU LEU LEU THR GLY 0.04209 0.40897 4.68085
9 3ZYR NAG NAG BMA MAN MAN NAG NAG 0.02448 0.40218 4.87805
10 3TDH AMP 0.01256 0.4119 5.02793
11 3CH6 311 0.01535 0.44797 5.59441
12 3CH6 NAP 0.01535 0.44797 5.59441
13 4OYA 1VE 0.03699 0.43106 5.69106
14 3C1X CKK 0.0298 0.40739 5.69106
15 2QCS ANP 0.03276 0.40731 5.69106
16 2QWO ADP 0.02249 0.40494 5.69106
17 2V52 ATP 0.035 0.40091 5.69106
18 4B1Y ATP 0.03664 0.40081 5.69106
19 3U5S FAD 0.04645 0.41678 6.34921
20 1P7L SAM 0.01915 0.42415 6.50407
21 1P7L PPK 0.02101 0.42062 6.50407
22 2UZH IPE 0.01373 0.40537 6.50407
23 2A40 ATP 0.02869 0.40502 6.50407
24 1USR DAN 0.02373 0.40412 6.50407
25 1FDJ 2FP 0.03785 0.40366 6.50407
26 2A42 ATP 0.03024 0.40326 6.50407
27 1I00 UMP 0.03064 0.40305 6.50407
28 1I00 D16 0.03064 0.40305 6.50407
29 2WCV FUC 0.01692 0.4017 6.50407
30 3GL0 HXX 0.01916 0.40137 6.50407
31 2A3Z ATP 0.03315 0.40042 6.50407
32 4PKG ATP 0.03043 0.40335 6.98925
33 1DMR PGD 0.01976 0.43579 7.31707
34 5LGD PLM 0.005285 0.43327 7.31707
35 5LI1 ANP 0.0243 0.40689 7.31707
36 1NVM NAD 0.02978 0.40539 7.31707
37 5A6N U7E 0.01397 0.40061 7.42049
38 3SJH ATP 0.03253 0.40261 9.25926
39 3SJH LAR 0.04692 0.40261 9.25926
40 3EWC MCF 0.01189 0.42463 9.79021
41 4KP7 1UQ 0.03287 0.41032 10.5691
42 5AR0 GB8 0.02398 0.40156 10.5691
43 2WU6 DKI 0.04357 0.40127 10.8392
44 5C1M CLR 0.01144 0.40565 11.2
45 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.03763 0.43034 11.3821
46 1YZN GNP 0.03594 0.40058 11.3821
47 4MO2 FDA 0.04284 0.40425 12.1951
48 5H3A D16 0.01131 0.416 13.0081
49 5H3A UMP 0.01216 0.40821 13.0081
50 5V3Y 5V8 0.01616 0.40152 13.0081
51 5F1X ATP 0.02615 0.41053 13.2867
52 5MZI FAD 0.01561 0.44259 14.6341
53 4OIV XX9 0.03394 0.41175 14.6341
54 4FHD 0TT 0.02167 0.41033 15.4472
55 4FHD EEM 0.02167 0.41033 15.4472
56 4LRJ ANP 0.02262 0.40509 21.1382
Pocket No.: 4; Query (leader) PDB : 1YRO; Ligand: GDU; Similar sites found: 8
This union binding pocket(no: 4) in the query (biounit: 1yro.bio2) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HPG BOC ALA ALA PRO GLU 0.0361 0.40262 3.25203
2 4YRD 3IT 0.04323 0.41148 4.87805
3 2OVW CBI 0.006996 0.44772 5.69106
4 3VMG 9CA 0.02746 0.40871 9.7561
5 1GXU 2HP 0.04952 0.41143 10.989
6 4TX6 38B 0.04332 0.40189 13.0081
7 4COQ SAN 0.02208 0.42931 16.2602
8 3B9Q MLI 0.02514 0.40916 18.6992
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