Receptor
PDB id Resolution Class Description Source Keywords
5X7R 1.95 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF PAENIBACILLUS SP. 598K ALPHA-1,6- GLUCOSYLTRANSFERASE COMPLEXED WITH ISOMALTOHEXAOSE PAENIBACILLUS SP. 598K GLYDOSIDE HYDROLASE FAMILY 31 CARBOHYDRATE-BINDING MODULE FCARBOHYDRATE-BINDING MODULE FAMILY 61 HYDROLASE TRANSFERA
Ref.: CARBOHYDRATE-BINDING ARCHITECTURE OF THE MULTI-MODU ALPHA-1,6-GLUCOSYLTRANSFERASE FROM PAENIBACILLUS SP WHICH PRODUCES ALPHA-1,6-GLUCOSYL-ALPHA-GLUCOSACCHA FROM STARCH BIOCHEM. J. V. 474 2763 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MES A:1711;
B:1714;
A:1708;
A:1709;
B:1701;
B:1711;
B:1716;
B:1707;
A:1706;
A:1705;
B:1706;
A:1713;
A:1704;
B:1712;
A:1712;
B:1708;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
MG B:1607;
A:1608;
B:1601;
A:1602;
B:1608;
A:1605;
B:1602;
A:1601;
A:1604;
A:1603;
B:1609;
A:1609;
B:1604;
B:1606;
B:1605;
A:1610;
A:1606;
A:1607;
B:1603;
B:1610;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
Invalid;
Invalid;
Invalid;
Part of Protein;
Invalid;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
SO4 B:1713;
A:1710;
A:1703;
B:1704;
A:1707;
B:1715;
B:1705;
B:1709;
B:1702;
B:1710;
B:1718;
B:1717;
B:1703;
A:1702;
A:1714;
A:1701;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ACR B:1481;
A:1481;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.5;
Atoms found LESS than expected: % Diff = 0.5;
submit data
645.605 C25 H43 N O18 C[C@@...
EDO A:1801;
A:1804;
A:1803;
B:1802;
B:1803;
A:1802;
B:1801;
B:1804;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
CA B:1301;
A:1303;
A:1302;
B:1302;
B:1303;
A:1301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
NI B:1501;
A:1502;
B:1502;
A:1501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
58.693 Ni [Ni+2...
GLC GLC GLC GLC BGC A:1411;
Valid;
none;
submit data
828.72 n/a O1C(O...
BGC A:1401;
B:1401;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC B:1461;
A:1461;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC GLC B:1471;
A:1471;
Valid;
Valid;
none;
none;
submit data
358.296 n/a O1C(O...
GLC GLC GLC A:1431;
B:1431;
Valid;
Valid;
none;
none;
submit data
504.438 n/a O1C(O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5X7Q 1.95 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF PAENIBACILLUS SP. 598K ALPHA-1,6- GLUCOSYLTRANSFERASE COMPLEXED WITH MALTOHEXAOSE PAENIBACILLUS SP. 598K GLYDOSIDE HYDROLASE FAMILY 31 CARBOHYDRATE-BINDING MODULE FCARBOHYDRATE-BINDING MODULE FAMILY 61 HYDROLASE TRANSFERA
Ref.: CARBOHYDRATE-BINDING ARCHITECTURE OF THE MULTI-MODU ALPHA-1,6-GLUCOSYLTRANSFERASE FROM PAENIBACILLUS SP WHICH PRODUCES ALPHA-1,6-GLUCOSYL-ALPHA-GLUCOSACCHA FROM STARCH BIOCHEM. J. V. 474 2763 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 5X7R - ACR C25 H43 N O18 C[C@@H]1[C....
2 5X7P - ACR C25 H43 N O18 C[C@@H]1[C....
3 5X7Q - GLC GLC GLC GLC n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5X7R - ACR C25 H43 N O18 C[C@@H]1[C....
2 5X7P - ACR C25 H43 N O18 C[C@@H]1[C....
3 5X7Q - GLC GLC GLC GLC n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5X7R - ACR C25 H43 N O18 C[C@@H]1[C....
2 5X7P - ACR C25 H43 N O18 C[C@@H]1[C....
3 5X7Q - GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACR; Similar ligands found: 118
No: Ligand ECFP6 Tc MDL keys Tc
1 QPS 1 1
2 ACR 1 1
3 3SA 0.931507 1
4 7SA 0.879518 0.957447
5 IAB 0.744444 1
6 AAO 0.730337 1
7 ARE 0.730337 1
8 ACG 0.722222 0.956522
9 ABC 0.639175 0.956522
10 ABD 0.595506 0.854167
11 ACR GLC 0.593407 0.956522
12 ACR GLC GLC GLC GLC 0.593407 0.956522
13 6SA 0.586538 1
14 QV4 0.578947 1
15 TXT 0.571429 0.87234
16 GAC 0.571429 0.87234
17 HSD G6D GLC HSD G6D GLC BGC 0.534653 0.916667
18 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.534653 0.916667
19 ACI G6D GLC ACI G6D GLC GLC 0.534653 0.916667
20 HSD G6D GLC HSD G6D GLC GLC 0.534653 0.916667
21 BGC GLC DAF GLC GLC GLC DAF 0.495413 0.897959
22 HMC AGL GLC 0.484211 0.93617
23 MLR 0.481013 0.733333
24 MAN MAN BMA BMA BMA BMA 0.481013 0.733333
25 MAN BMA BMA 0.481013 0.733333
26 BGC BGC BGC BGC BGC BGC 0.481013 0.733333
27 CTR 0.481013 0.733333
28 MAN BMA BMA BMA BMA 0.481013 0.733333
29 CE6 0.481013 0.733333
30 GLC GLC GLC GLC GLC 0.481013 0.733333
31 GLC BGC BGC BGC BGC BGC 0.481013 0.733333
32 CE8 0.481013 0.733333
33 CE5 0.481013 0.733333
34 DXI 0.481013 0.733333
35 GLA GAL GLC 0.481013 0.733333
36 BMA BMA BMA 0.481013 0.733333
37 BGC BGC BGC GLC 0.481013 0.733333
38 CTT 0.481013 0.733333
39 BGC GLC GLC GLC 0.481013 0.733333
40 GLC GAL GAL 0.481013 0.733333
41 BMA BMA BMA BMA BMA 0.481013 0.733333
42 MT7 0.481013 0.733333
43 B4G 0.481013 0.733333
44 BGC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
45 GLC BGC BGC BGC BGC 0.481013 0.733333
46 BGC GLC GLC GLC GLC 0.481013 0.733333
47 BMA MAN BMA 0.481013 0.733333
48 BMA BMA BMA BMA BMA BMA 0.481013 0.733333
49 GLC GLC BGC 0.481013 0.733333
50 BGC GLC GLC 0.481013 0.733333
51 CEX 0.481013 0.733333
52 GAL GAL GAL 0.481013 0.733333
53 GLC BGC BGC 0.481013 0.733333
54 GLC BGC GLC 0.481013 0.733333
55 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
56 GLC GLC BGC GLC GLC GLC GLC 0.481013 0.733333
57 GLC GLC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
58 CT3 0.481013 0.733333
59 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.481013 0.733333
60 GLC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
61 CEY 0.481013 0.733333
62 MTT 0.481013 0.733333
63 ACR GLC GLC GLC 0.480769 0.956522
64 GLC GLC AGL HMC GLC 0.480769 0.956522
65 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.480769 0.895833
66 GLC GLC DAF BGC 0.480769 0.956522
67 GLC GLC ACI G6D GLC GLC 0.480769 0.956522
68 NGA GAL BGC 0.461538 0.836735
69 BMA BMA BMA BMA BMA BMA MAN 0.457831 0.717391
70 MAN BMA BMA BMA BMA BMA 0.457831 0.717391
71 AGL GLC HMC AGL GLC BGC 0.449541 0.895833
72 BGC BGC BGC BGC 0.448276 0.733333
73 BGC BGC BGC BGC BGC BGC BGC BGC 0.448276 0.733333
74 GLC AGL GLC HMC 0.447619 0.93617
75 GLC ACI GLD GAL 0.442308 0.956522
76 GLC ACI G6D GLC 0.442308 0.956522
77 GLC GLC GLC G6D ADH GLC 0.435185 0.897959
78 NGA GLA GAL BGC 0.434343 0.836735
79 LBT 0.43038 0.733333
80 BGC GLC 0.43038 0.733333
81 N9S 0.43038 0.733333
82 LAT 0.43038 0.733333
83 BGC GAL 0.43038 0.733333
84 GLC BGC 0.43038 0.733333
85 BGC BMA 0.43038 0.733333
86 MAB 0.43038 0.733333
87 GLA GAL 0.43038 0.733333
88 BMA BMA 0.43038 0.733333
89 GLC GAL 0.43038 0.733333
90 CBK 0.43038 0.733333
91 BMA GAL 0.43038 0.733333
92 GAL BGC 0.43038 0.733333
93 MAL MAL 0.43038 0.717391
94 MAL 0.43038 0.733333
95 GLA GLA 0.43038 0.733333
96 B2G 0.43038 0.733333
97 CBI 0.43038 0.733333
98 GAL GLC 0.43038 0.733333
99 ACI GLD GLC GAL 0.43 0.851064
100 DAF BGC GLC 0.43 0.851064
101 DAF GLC GLC 0.43 0.851064
102 BMA BMA GLA BMA BMA 0.423913 0.733333
103 BGC GAL FUC 0.422222 0.755556
104 GLC GAL FUC 0.422222 0.755556
105 FUC GAL GLC 0.422222 0.755556
106 LAT FUC 0.422222 0.755556
107 FUC LAT 0.422222 0.755556
108 GAL NGA GLA BGC GAL 0.415842 0.836735
109 GLC GLC G6D ACI GLC GLC GLC 0.415094 0.851064
110 GLC GLC GLC BGC 0.413043 0.733333
111 GLA GAL GAL 0.402299 0.733333
112 GLA GAL BGC 0.402299 0.733333
113 ACI GLD GLC ACI G6D BGC 0.401869 0.816327
114 ACI G6D GLC ACI G6D BGC 0.401869 0.816327
115 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.401869 0.816327
116 DAF GLC DAF GLC GLC 0.401869 0.816327
117 AC1 GLC AC1 BGC 0.401869 0.816327
118 BGC GLC AC1 GLC GLC GLC AC1 0.401869 0.816327
Ligand no: 2; Ligand: GLC GLC GLC GLC BGC; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC BGC 1 1
2 GLC GLC GLC 1 1
3 MAN MAN MAN 1 1
4 GLC GLC GLC GLC BGC 1 1
5 MLB 0.953488 1
6 MAN BMA 0.953488 1
7 GLA GLC 0.953488 1
8 BMA GLA 0.953488 1
9 BGC GLA 0.953488 1
10 LAK 0.953488 1
11 GAL GAL 0.953488 1
12 GLA BGC 0.953488 1
13 GLA BMA 0.953488 1
14 AHR AHR AHR 0.744681 0.857143
15 FUB AHR AHR 0.744681 0.857143
16 MAN MAN MAN MAN 0.736842 1
17 MAN MAN BMA MAN 0.736842 1
18 FUB AHR 0.717391 0.857143
19 AHR AHR 0.717391 0.857143
20 GLC GLC GLC GLC 0.684211 1
21 MAN MMA 0.666667 0.942857
22 GLC GLC GLC GLC GLC GLC 0.661017 1
23 GLC GLC GLC BGC 0.639344 1
24 M5S 0.612903 1
25 MAN BMA MAN MAN MAN 0.612903 1
26 MAN MAN MAN BMA MAN 0.58209 1
27 BMA BMA GLA BMA BMA 0.530303 1
28 MAN MMA MAN 0.52381 0.942857
29 FRU GLC GLA 0.523077 0.891892
30 RAF 0.523077 0.891892
31 MAN MAN MAN BMA MAN MAN MAN 0.506494 0.942857
32 NGB 0.492754 0.622642
33 GLA 0.488889 0.848485
34 BGC 0.488889 0.848485
35 MAN 0.488889 0.848485
36 ALL 0.488889 0.848485
37 GIV 0.488889 0.848485
38 BMA 0.488889 0.848485
39 GXL 0.488889 0.848485
40 GLC 0.488889 0.848485
41 WOO 0.488889 0.848485
42 GAL 0.488889 0.848485
43 SUC GLA 0.478873 0.891892
44 MAN H1M MAN 0.478261 0.868421
45 BMA BMA MAN 0.474576 0.970588
46 4CQ 0.46875 0.970588
47 WZ2 0.463768 0.868421
48 NAG MAN BMA 0.459459 0.733333
49 NAG MAN MAN 0.459459 0.733333
50 GAL GLC 0.45614 1
51 BGC GLC 0.45614 1
52 CBI 0.45614 1
53 MAL 0.45614 1
54 LAT 0.45614 1
55 LBT 0.45614 1
56 BGC GAL 0.45614 1
57 N9S 0.45614 1
58 B2G 0.45614 1
59 MAL MAL 0.45614 0.970588
60 MAB 0.45614 1
61 BMA GAL 0.45614 1
62 GAL BGC 0.45614 1
63 GLC BGC 0.45614 1
64 GLA GAL 0.45614 1
65 CBK 0.45614 1
66 GLC GAL 0.45614 1
67 BGC BMA 0.45614 1
68 GLA GLA 0.45614 1
69 BMA BMA 0.45614 1
70 RGG 0.454545 0.882353
71 WZ3 0.450704 0.916667
72 DEG 0.446429 0.769231
73 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.445783 0.6875
74 1GN ACY GAL ACY 1GN BGC GAL BGC 0.445783 0.6875
75 DMJ MAN 0.444444 0.727273
76 BMA BMA BMA BMA BMA BMA MAN 0.444444 0.970588
77 MAN BMA BMA BMA BMA BMA 0.444444 0.970588
78 NAG BMA MAN MAN MAN MAN 0.444444 0.733333
79 NOJ BGC 0.444444 0.727273
80 GLC BGC BGC BGC XYS BGC XYS XYS 0.4375 0.916667
81 IFM MAN 0.4375 0.744186
82 M6D 0.433962 0.674419
83 G6P 0.433962 0.674419
84 BG6 0.433962 0.674419
85 M6P 0.433962 0.674419
86 A6P 0.433962 0.674419
87 BGP 0.433962 0.674419
88 DGD 0.433735 0.733333
89 LB2 0.431034 1
90 MAN GLC 0.431034 1
91 M3M 0.431034 1
92 EBQ 0.431034 0.837838
93 EBG 0.431034 0.837838
94 BGC BGC XYS BGC 0.426667 0.942857
95 CT3 0.42623 1
96 MLR 0.42623 1
97 GLC GLC BGC GLC GLC GLC GLC 0.42623 1
98 CEY 0.42623 1
99 GLC BGC GLC 0.42623 1
100 GLC GAL GAL 0.42623 1
101 GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
102 GLC GLC BGC 0.42623 1
103 GLC GLC GLC GLC GLC GLC GLC 0.42623 1
104 BGC GLC GLC GLC GLC 0.42623 1
105 MAN MAN BMA BMA BMA BMA 0.42623 1
106 B4G 0.42623 1
107 MAN BMA BMA BMA BMA 0.42623 1
108 CEX 0.42623 1
109 BMA BMA BMA BMA BMA 0.42623 1
110 DXI 0.42623 1
111 GLC BGC BGC BGC BGC BGC 0.42623 1
112 CTT 0.42623 1
113 CTR 0.42623 1
114 BMA BMA BMA 0.42623 1
115 GLC GLC GLC GLC GLC 0.42623 1
116 BGC GLC GLC 0.42623 1
117 GLC BGC BGC 0.42623 1
118 MAN BMA BMA 0.42623 1
119 MTT 0.42623 1
120 BMA BMA BMA BMA BMA BMA 0.42623 1
121 BGC GLC GLC GLC GLC GLC GLC 0.42623 1
122 CE5 0.42623 1
123 BMA MAN BMA 0.42623 1
124 BGC GLC GLC GLC 0.42623 1
125 GLA GAL GLC 0.42623 1
126 GAL GAL GAL 0.42623 1
127 CE6 0.42623 1
128 GLC BGC BGC BGC BGC 0.42623 1
129 BGC BGC BGC BGC BGC BGC 0.42623 1
130 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
131 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.42623 1
132 MT7 0.42623 1
133 BGC BGC BGC GLC 0.42623 1
134 CE8 0.42623 1
135 HEX GLC 0.423729 0.714286
136 BHG 0.423729 0.714286
137 GLC HEX 0.423729 0.714286
138 JZR 0.423729 0.714286
139 TRE 0.42 1
140 WZ5 0.418605 0.702128
141 GAL GAL SO4 0.41791 0.702128
142 KGM 0.416667 0.738095
143 B7G 0.416667 0.738095
144 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.41573 0.733333
145 BGC BGC 0.413793 1
146 2M4 0.413793 1
147 MAN MAN 0.413793 1
148 MMA 0.411765 0.857143
149 AMG 0.411765 0.857143
150 MBG 0.411765 0.857143
151 GYP 0.411765 0.857143
152 GLC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
153 BGC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
154 BGC BGC XYS BGC XYS BGC XYS 0.410256 0.942857
155 SER MAN 0.409836 0.775
156 BOG 0.409836 0.738095
157 BNG 0.409836 0.738095
158 HSJ 0.409836 0.738095
159 GLC GLC XYS XYS 0.408451 0.914286
160 GL1 0.407407 0.697674
161 M1P 0.407407 0.697674
162 XGP 0.407407 0.697674
163 G1P 0.407407 0.697674
164 6SA 0.40625 0.733333
165 AXR BXY BXY BXX 0.405405 0.789474
166 NAG BMA MAN MAN MAN MAN MAN 0.405063 0.868421
167 GAL FUC 0.403226 0.941176
168 GAL BGC NAG GAL 0.402597 0.733333
169 GAL BGC BGC XYS 0.4 0.942857
Ligand no: 3; 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: 4; Ligand: GLC; 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: 5; Ligand: GLC GLC; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC 1 1
2 BGP 0.423077 0.707317
3 M6D 0.423077 0.707317
4 A6P 0.423077 0.707317
5 BG6 0.423077 0.707317
6 M6P 0.423077 0.707317
7 G6P 0.423077 0.707317
Ligand no: 6; Ligand: GLC GLC GLC; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC BGC 1 1
2 GLC GLC GLC 1 1
3 MAN MAN MAN 1 1
4 GLC GLC GLC GLC BGC 1 1
5 MLB 0.953488 1
6 MAN BMA 0.953488 1
7 GLA GLC 0.953488 1
8 BMA GLA 0.953488 1
9 BGC GLA 0.953488 1
10 LAK 0.953488 1
11 GAL GAL 0.953488 1
12 GLA BGC 0.953488 1
13 GLA BMA 0.953488 1
14 AHR AHR AHR 0.744681 0.857143
15 FUB AHR AHR 0.744681 0.857143
16 MAN MAN MAN MAN 0.736842 1
17 MAN MAN BMA MAN 0.736842 1
18 FUB AHR 0.717391 0.857143
19 AHR AHR 0.717391 0.857143
20 GLC GLC GLC GLC 0.684211 1
21 MAN MMA 0.666667 0.942857
22 GLC GLC GLC GLC GLC GLC 0.661017 1
23 GLC GLC GLC BGC 0.639344 1
24 M5S 0.612903 1
25 MAN BMA MAN MAN MAN 0.612903 1
26 MAN MAN MAN BMA MAN 0.58209 1
27 BMA BMA GLA BMA BMA 0.530303 1
28 MAN MMA MAN 0.52381 0.942857
29 FRU GLC GLA 0.523077 0.891892
30 RAF 0.523077 0.891892
31 MAN MAN MAN BMA MAN MAN MAN 0.506494 0.942857
32 NGB 0.492754 0.622642
33 GLA 0.488889 0.848485
34 BGC 0.488889 0.848485
35 MAN 0.488889 0.848485
36 ALL 0.488889 0.848485
37 GIV 0.488889 0.848485
38 BMA 0.488889 0.848485
39 GXL 0.488889 0.848485
40 GLC 0.488889 0.848485
41 WOO 0.488889 0.848485
42 GAL 0.488889 0.848485
43 SUC GLA 0.478873 0.891892
44 MAN H1M MAN 0.478261 0.868421
45 BMA BMA MAN 0.474576 0.970588
46 4CQ 0.46875 0.970588
47 WZ2 0.463768 0.868421
48 NAG MAN BMA 0.459459 0.733333
49 NAG MAN MAN 0.459459 0.733333
50 GAL GLC 0.45614 1
51 BGC GLC 0.45614 1
52 CBI 0.45614 1
53 MAL 0.45614 1
54 LAT 0.45614 1
55 LBT 0.45614 1
56 BGC GAL 0.45614 1
57 N9S 0.45614 1
58 B2G 0.45614 1
59 MAL MAL 0.45614 0.970588
60 MAB 0.45614 1
61 BMA GAL 0.45614 1
62 GAL BGC 0.45614 1
63 GLC BGC 0.45614 1
64 GLA GAL 0.45614 1
65 CBK 0.45614 1
66 GLC GAL 0.45614 1
67 BGC BMA 0.45614 1
68 GLA GLA 0.45614 1
69 BMA BMA 0.45614 1
70 RGG 0.454545 0.882353
71 WZ3 0.450704 0.916667
72 DEG 0.446429 0.769231
73 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.445783 0.6875
74 1GN ACY GAL ACY 1GN BGC GAL BGC 0.445783 0.6875
75 DMJ MAN 0.444444 0.727273
76 BMA BMA BMA BMA BMA BMA MAN 0.444444 0.970588
77 MAN BMA BMA BMA BMA BMA 0.444444 0.970588
78 NAG BMA MAN MAN MAN MAN 0.444444 0.733333
79 NOJ BGC 0.444444 0.727273
80 GLC BGC BGC BGC XYS BGC XYS XYS 0.4375 0.916667
81 IFM MAN 0.4375 0.744186
82 M6D 0.433962 0.674419
83 G6P 0.433962 0.674419
84 BG6 0.433962 0.674419
85 M6P 0.433962 0.674419
86 A6P 0.433962 0.674419
87 BGP 0.433962 0.674419
88 DGD 0.433735 0.733333
89 LB2 0.431034 1
90 MAN GLC 0.431034 1
91 M3M 0.431034 1
92 EBQ 0.431034 0.837838
93 EBG 0.431034 0.837838
94 BGC BGC XYS BGC 0.426667 0.942857
95 CT3 0.42623 1
96 MLR 0.42623 1
97 GLC GLC BGC GLC GLC GLC GLC 0.42623 1
98 CEY 0.42623 1
99 GLC BGC GLC 0.42623 1
100 GLC GAL GAL 0.42623 1
101 GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
102 GLC GLC BGC 0.42623 1
103 GLC GLC GLC GLC GLC GLC GLC 0.42623 1
104 BGC GLC GLC GLC GLC 0.42623 1
105 MAN MAN BMA BMA BMA BMA 0.42623 1
106 B4G 0.42623 1
107 MAN BMA BMA BMA BMA 0.42623 1
108 CEX 0.42623 1
109 BMA BMA BMA BMA BMA 0.42623 1
110 DXI 0.42623 1
111 GLC BGC BGC BGC BGC BGC 0.42623 1
112 CTT 0.42623 1
113 CTR 0.42623 1
114 BMA BMA BMA 0.42623 1
115 GLC GLC GLC GLC GLC 0.42623 1
116 BGC GLC GLC 0.42623 1
117 GLC BGC BGC 0.42623 1
118 MAN BMA BMA 0.42623 1
119 MTT 0.42623 1
120 BMA BMA BMA BMA BMA BMA 0.42623 1
121 BGC GLC GLC GLC GLC GLC GLC 0.42623 1
122 CE5 0.42623 1
123 BMA MAN BMA 0.42623 1
124 BGC GLC GLC GLC 0.42623 1
125 GLA GAL GLC 0.42623 1
126 GAL GAL GAL 0.42623 1
127 CE6 0.42623 1
128 GLC BGC BGC BGC BGC 0.42623 1
129 BGC BGC BGC BGC BGC BGC 0.42623 1
130 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
131 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.42623 1
132 MT7 0.42623 1
133 BGC BGC BGC GLC 0.42623 1
134 CE8 0.42623 1
135 HEX GLC 0.423729 0.714286
136 BHG 0.423729 0.714286
137 GLC HEX 0.423729 0.714286
138 JZR 0.423729 0.714286
139 TRE 0.42 1
140 WZ5 0.418605 0.702128
141 GAL GAL SO4 0.41791 0.702128
142 KGM 0.416667 0.738095
143 B7G 0.416667 0.738095
144 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.41573 0.733333
145 BGC BGC 0.413793 1
146 2M4 0.413793 1
147 MAN MAN 0.413793 1
148 MMA 0.411765 0.857143
149 AMG 0.411765 0.857143
150 MBG 0.411765 0.857143
151 GYP 0.411765 0.857143
152 GLC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
153 BGC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
154 BGC BGC XYS BGC XYS BGC XYS 0.410256 0.942857
155 SER MAN 0.409836 0.775
156 BOG 0.409836 0.738095
157 BNG 0.409836 0.738095
158 HSJ 0.409836 0.738095
159 GLC GLC XYS XYS 0.408451 0.914286
160 GL1 0.407407 0.697674
161 M1P 0.407407 0.697674
162 XGP 0.407407 0.697674
163 G1P 0.407407 0.697674
164 6SA 0.40625 0.733333
165 AXR BXY BXY BXX 0.405405 0.789474
166 NAG BMA MAN MAN MAN MAN MAN 0.405063 0.868421
167 GAL FUC 0.403226 0.941176
168 GAL BGC NAG GAL 0.402597 0.733333
169 GAL BGC BGC XYS 0.4 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5X7Q; Ligand: ACR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5x7q.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5X7Q; Ligand: GLC; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 5x7q.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AYE BMA BMA 0.01297 0.41258 5.07463
2 5AWQ GLC GLC 0.0000008526 0.59736 9.5082
3 4QB6 GCU XYP 0.00107 0.44834 39.0244
4 5F7U GLC GLC 0.0007641 0.44316 41.1101
5 2W47 UNF 0.0002844 0.50128 48.6111
Pocket No.: 3; Query (leader) PDB : 5X7Q; Ligand: GLC GLC GLC BGC; Similar sites found: 12
This union binding pocket(no: 3) in the query (biounit: 5x7q.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5ERM 210 0.02739 0.40333 2.47934
2 4FFG 0U8 0.042 0.40004 3.65854
3 5CDH TLA 0.02222 0.40221 3.86905
4 2JIG PD2 0.01647 0.40722 4.91071
5 2B1Q TRE 0.02203 0.40509 5.7377
6 4WVW SLT 0.01544 0.42468 6.94444
7 5LY2 OGA 0.02298 0.40762 7.87402
8 1Y2F WAI 0.02718 0.40871 11.5108
9 1O4T OXL 0.01371 0.40625 18.797
10 2BOS GLA GAL GLC 0.009924 0.41421 20.5882
11 2BOS GLA GAL 0.01129 0.40736 20.5882
12 5FUI APY 0.01703 0.40731 35.6061
Pocket No.: 4; Query (leader) PDB : 5X7Q; Ligand: BGC; Similar sites found: 17
This union binding pocket(no: 4) in the query (biounit: 5x7q.bio1) has 52 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5M12 7D0 0.01175 0.43964 2.26087
2 3ANY 2A3 0.01235 0.45311 3.04183
3 4NZF ARB 0.02079 0.43852 3.34821
4 4RW3 IPD 0.03748 0.42009 3.64238
5 4FFG LBS 0.016 0.42215 3.65854
6 5D6T NGA 0.006812 0.47686 4.41176
7 4MJ0 SIA SIA GAL 0.03598 0.42337 5.09091
8 4MJ0 BGC SIA SIA GAL 0.04062 0.42044 5.09091
9 4AMW 5DI 0.000001244 0.68078 11.1003
10 5DKY NOJ 0.000008848 0.58227 24.2902
11 5I0F GLC GLC 0.0002971 0.50263 26.0573
12 5H9O GLC 0.000007643 0.60619 26.9545
13 3L4U DSK 0.00004009 0.53412 28.2286
14 2F2H XTG 0.0005628 0.47701 29.8836
15 5AEE NSQ 0.0007274 0.49288 34.4023
16 4B9Z ACR 0.00000137 0.62203 37.4541
17 5F7U GLC GLC GLC 0.00007168 0.54328 41.1101
Pocket No.: 5; Query (leader) PDB : 5X7Q; Ligand: GLC GLC GLC GLC GLC; Similar sites found: 70
This union binding pocket(no: 5) in the query (biounit: 5x7q.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PS9 FAD 0.02514 0.40752 1.49031
2 1OJK GLC BGC 0.007792 0.42195 1.99005
3 4FHD EEM 0.01971 0.42514 2.17391
4 4FHD 0TT 0.01971 0.42514 2.17391
5 2AXR ABL 0.001193 0.42287 2.18688
6 5H2D ERG 0.01357 0.42325 2.29885
7 4USF 6UI 0.02611 0.40753 2.30263
8 4P25 FUC GAL NAG FUC 0.01503 0.40107 2.31788
9 5FL5 82E 0.0145 0.40445 2.33463
10 1IID NHM 0.03779 0.40928 2.36967
11 4KYS VIB 0.002357 0.44931 3.27869
12 1ERB ETR 0.03037 0.40688 3.27869
13 1C9K 5GP 0.01162 0.40519 3.33333
14 4DE9 VTP 0.03144 0.40535 3.4965
15 5MJA 7O3 0.009388 0.42722 3.60656
16 2A1L PCW 0.003605 0.46634 3.7037
17 5J75 6GQ 0.02096 0.40448 3.78788
18 4OCJ NDG 0.04115 0.41686 4.22164
19 4G7A AZM 0.0006685 0.46772 4.43548
20 5UR1 YY9 0.02865 0.41314 4.50161
21 4PSB GA3 0.03203 0.41386 4.51613
22 1ODM ASV 0.003304 0.45074 4.53172
23 5NFB 8VT 0.002624 0.4208 4.54545
24 1Y0G 8PP 0.01111 0.44546 4.71204
25 2V95 HCY 0.006972 0.41828 4.85175
26 3ACL 3F1 0.001336 0.45624 5.40541
27 3E8T UQ8 0.04361 0.40753 5.45455
28 3THR C2F 0.02617 0.40188 5.46075
29 1LN1 DLP 0.003404 0.47119 5.60748
30 5A3T MMK 0.00828 0.44112 5.82121
31 3WUC GLC GAL 0.01711 0.40898 5.83942
32 4RFR RHN 0.01114 0.42829 5.91133
33 5HES 032 0.01517 0.41233 6.18893
34 4WOE ADP 0.000392 0.4308 6.28492
35 2A4W BLM 0.01142 0.41852 6.52174
36 5DJT FMN 0.007936 0.42482 6.55738
37 5ML3 DL3 0.007366 0.46476 6.71141
38 1N07 FMN 0.03155 0.41588 6.74847
39 4QYN RTL 0.02371 0.41217 6.76692
40 4OYA 1VE 0.03847 0.4086 6.80851
41 4Q0L V14 0.006485 0.43164 6.84411
42 3EWK FAD 0.01465 0.41552 7.04846
43 2WT2 GAL NAG GAL NAG GAL NAG 0.002695 0.45715 7.28863
44 3Q8G PEE 0.02577 0.42334 7.5
45 3VV1 GAL FUC 0.005025 0.40424 7.5
46 4L4J NAG NAG BMA MAN NAG 0.006653 0.41494 7.69231
47 1UMZ BGC BGC XYS BGC XYS GAL 0.01124 0.40548 7.91367
48 5U98 1KX 0.02862 0.415 7.94224
49 1NB9 ADP 0.04459 0.4121 8.16327
50 1NB9 RBF 0.04459 0.4121 8.16327
51 5F3I 5UJ 0.04943 0.414 8.33333
52 3FW4 CAQ 0.003942 0.45526 8.98876
53 1LSH PLD 0.02172 0.41242 10.0313
54 1ZB6 GST 0.01984 0.40342 10.7492
55 1ZB6 DIN 0.01889 0.40342 10.7492
56 4YLZ LAT NAG GAL 0.001904 0.44894 11.1111
57 5UKL SIX 0.02296 0.40691 11.2094
58 5EPQ OLA 0.01427 0.41193 11.5854
59 3WG3 A2G GAL NAG FUC 0.006343 0.41562 11.7978
60 3MTX PGT 0.0004556 0.51496 11.9205
61 1NYW DAU 0.02501 0.40004 12.1827
62 5DG2 GAL GLC 0.001302 0.41723 12.5926
63 1WW5 SGA BGC 0.007599 0.41395 13.125
64 1KGI T4A 0.00343 0.45796 13.3858
65 3ZXE PGZ 0.001546 0.4354 16.5414
66 3SAO NKN 0.008181 0.41988 16.875
67 3SAO DBH 0.005731 0.41392 16.875
68 1ND2 MYR 0.01208 0.40925 17.6471
69 4K55 H6P 0.00215 0.43185 17.7419
70 4AZP A9M 0.005271 0.44965 19.5652
Pocket No.: 6; Query (leader) PDB : 5X7Q; Ligand: GLC GLC GLC GLC; Similar sites found: 27
This union binding pocket(no: 6) in the query (biounit: 5x7q.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4HPH SUC 0.0238 0.40203 1.43113
2 1R27 MGD 0.03986 0.40868 2.53906
3 5JCM NAD 0.01443 0.44233 2.66075
4 5JCM FAD 0.01443 0.44233 2.66075
5 4I5I 4I5 0.008937 0.44514 2.78746
6 3RIY NAD 0.02857 0.43919 2.9304
7 5GRF ADP 0.04192 0.40958 2.94985
8 2PQB GG9 0.002738 0.47021 3.14607
9 4NMC FAD 0.006516 0.43493 3.18408
10 4NMC 2OP 0.006272 0.43493 3.18408
11 1RF6 S3P 0.00281 0.4664 3.27869
12 1RF6 GPJ 0.00281 0.4664 3.27869
13 3LCC SAH 0.02886 0.40901 3.40426
14 3HJ1 UTP 0.008616 0.42261 3.61757
15 1S7G APR 0.03519 0.44033 3.95257
16 5T67 SAH 0.03058 0.40389 4.56731
17 1XTP SAI 0.00728 0.44527 4.72441
18 5GG9 8GM 0.001628 0.42833 4.97076
19 2BZG SAH 0.03545 0.40886 5.60345
20 2WJH FLC 0.04868 0.40315 7.83133
21 4J4H NAI 0.04744 0.41553 10.8108
22 4J4H 1J1 0.04618 0.41553 10.8108
23 3F6R FMN 0.01453 0.42146 11.4865
24 4IX4 ADP 0.01033 0.42737 13.4286
25 5DX0 SFG 0.003633 0.43796 14.3266
26 5DWQ SFG 0.004057 0.42835 14.3266
27 3CPJ GDP 0.02463 0.40745 17.9372
Pocket No.: 7; Query (leader) PDB : 5X7Q; Ligand: ACR; Similar sites found: 21
This union binding pocket(no: 7) in the query (biounit: 5x7q.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1M15 ARG 0.01641 0.41626 2.2409
2 1M15 ADP 0.01641 0.41626 2.2409
3 5A67 3PO 0.004895 0.40508 2.35849
4 3A7R LAQ 0.009742 0.4036 2.96736
5 5LRT ADP 0.004441 0.43831 3.34646
6 2X2M X2M 0.006686 0.43925 3.50318
7 2A1L PCW 0.003893 0.41622 3.7037
8 5J75 6GQ 0.0006462 0.41222 3.78788
9 4B7P 9UN 0.02523 0.44184 3.91304
10 5JKG 6LF 0.02214 0.40993 4.50161
11 5AYE BMA BMA 0.003336 0.40347 5.07463
12 1Q2E MGL SGC GLC GLC 0.01082 0.41108 5.16432
13 5ML3 DL3 0.00231 0.45202 6.71141
14 3NW7 LGV 0.02842 0.40445 8.46906
15 1P0Z FLC 0.00025 0.40239 9.16031
16 3BXO UPP 0.003647 0.46415 10.0418
17 3WG3 A2G GAL NAG FUC 0.0008298 0.43195 11.7978
18 3ZXE PGZ 0.0009056 0.42831 16.5414
19 3SAO NKN 0.0001278 0.47849 16.875
20 1IGJ DGX 0.009537 0.40234 35.1598
21 1MEX RAC 0.00113 0.45512 35.6808
Pocket No.: 8; Query (leader) PDB : 5X7Q; Ligand: GLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5x7q.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5X7Q; Ligand: GLC GLC; Similar sites found: 7
This union binding pocket(no: 9) in the query (biounit: 5x7q.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PJU C2E 0.03523 0.42659 2.40964
2 4ZAD 4LU 0.04902 0.40112 3.31384
3 5AWQ GLC GLC 0.000000001328 0.73164 9.5082
4 3FHI ANP 0.01561 0.40078 15.5844
5 4QB6 GCU XYP 0.00002426 0.51803 39.0244
6 5F7U GLC GLC 0.000004137 0.47756 41.1101
7 2W47 UNF 0.0000386 0.49993 48.6111
Pocket No.: 10; Query (leader) PDB : 5X7Q; Ligand: GLC GLC GLC BGC; Similar sites found: 6
This union binding pocket(no: 10) in the query (biounit: 5x7q.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UQD AKG 0.02677 0.40416 3.16742
2 5KJW 53C 0.01065 0.42838 3.74707
3 1I06 TZL 0.02581 0.40317 3.88889
4 1G5N UAP SGN IDS SGN 0.02363 0.40061 5.34591
5 3G08 FEE 0.0216 0.40724 8.07018
6 3B00 16A 0.01463 0.40735 8.45588
Pocket No.: 11; Query (leader) PDB : 5X7Q; Ligand: BGC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 5x7q.bio1) has 52 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 5X7Q; Ligand: GLC GLC GLC GLC; Similar sites found: 58
This union binding pocket(no: 12) in the query (biounit: 5x7q.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QM5 PLP 0.009384 0.44338 1.13065
2 4HWT 1B2 0.02023 0.40106 1.69492
3 4YZC STU 0.03973 0.4005 1.7284
4 1OJK GLC BGC 0.008357 0.41837 1.99005
5 2AXR ABL 0.001599 0.41677 2.18688
6 5H2D ERG 0.02281 0.41065 2.29885
7 4USF 6UI 0.03301 0.40024 2.30263
8 4P25 FUC GAL NAG FUC 0.01411 0.40602 2.31788
9 1IID NHM 0.03204 0.41605 2.36967
10 2D6M LBT 0.005584 0.40025 3.14465
11 4RDL FUC GAL NDG FUC 0.002388 0.40107 3.24675
12 4KYS VIB 0.003434 0.44182 3.27869
13 1C9K 5GP 0.009356 0.41024 3.33333
14 4DE9 VTP 0.02933 0.40772 3.4965
15 5MJA 7O3 0.01063 0.42283 3.60656
16 2A1L PCW 0.003556 0.46694 3.7037
17 5J75 6GQ 0.01902 0.40494 3.78788
18 4G7A AZM 0.0008281 0.46141 4.43548
19 4PSB GA3 0.03487 0.41182 4.51613
20 1ODM ASV 0.003438 0.44528 4.53172
21 5NFB 8VT 0.002557 0.42063 4.54545
22 1Y0G 8PP 0.01089 0.44445 4.71204
23 2V95 HCY 0.008307 0.41428 4.85175
24 3TKI S25 0.0388 0.40831 5.26316
25 3ACL 3F1 0.001266 0.45758 5.40541
26 3E8T UQ8 0.01687 0.44214 5.45455
27 3THR C2F 0.02629 0.4018 5.46075
28 4HIA FMN 0.02897 0.40682 5.68182
29 4OMJ 2TX 0.0118 0.4345 5.7554
30 3WUC GLC GAL 0.02355 0.40046 5.83942
31 4RFR RHN 0.0128 0.42381 5.91133
32 2HK5 1BM 0.01353 0.42325 5.92593
33 4WOE ADP 0.0005479 0.4251 6.28492
34 2A4W BLM 0.008423 0.42759 6.52174
35 5ML3 DL3 0.007763 0.46241 6.71141
36 1N07 FMN 0.03428 0.41141 6.74847
37 4Q0L V14 0.01035 0.43119 6.84411
38 3RYC GDP 0.0182 0.42205 6.99301
39 2WT2 GAL NAG GAL NAG GAL NAG 0.002673 0.45728 7.28863
40 3Q8G PEE 0.0166 0.44287 7.5
41 4L4J NAG NAG BMA MAN NAG 0.007832 0.40925 7.69231
42 5U98 1KX 0.01396 0.43025 7.94224
43 1NB9 ADP 0.04744 0.40951 8.16327
44 1NB9 RBF 0.04744 0.40951 8.16327
45 3FW4 CAQ 0.004007 0.45544 8.98876
46 3EEB IHP 0.01113 0.40568 10.5263
47 1ZB6 GST 0.01746 0.41666 10.7492
48 1ZB6 DIN 0.01662 0.41666 10.7492
49 4YLZ LAT NAG GAL 0.002305 0.44327 11.1111
50 5EPQ OLA 0.01795 0.40607 11.5854
51 3MTX PGT 0.0004805 0.512 11.9205
52 1NYW DAU 0.02244 0.40241 12.1827
53 3ZXE PGZ 0.001746 0.43078 16.5414
54 3SAO DBH 0.006713 0.40947 16.875
55 3SAO NKN 0.01296 0.40827 16.875
56 1ND2 MYR 0.01093 0.41201 17.6471
57 4K55 H6P 0.002787 0.42554 17.7419
58 4AZP A9M 0.006219 0.44917 19.5652
Pocket No.: 13; Query (leader) PDB : 5X7Q; Ligand: GLC GLC GLC; Similar sites found: 28
This union binding pocket(no: 13) in the query (biounit: 5x7q.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4HPH SUC 0.02016 0.40792 1.43113
2 1R27 MGD 0.04018 0.40794 2.53906
3 4I5I 4I5 0.009527 0.44289 2.78746
4 3RIY NAD 0.02844 0.43974 2.9304
5 2PQB GG9 0.002631 0.47276 3.14607
6 4NMC FAD 0.008444 0.42737 3.18408
7 4NMC 2OP 0.008134 0.42737 3.18408
8 1RF6 S3P 0.002724 0.46786 3.27869
9 1RF6 GPJ 0.002724 0.46786 3.27869
10 3HJ1 UTP 0.01071 0.41455 3.61757
11 1S7G APR 0.03841 0.4356 3.95257
12 1S7G NAD 0.04554 0.42259 3.95257
13 5T67 JHZ 0.02538 0.41814 4.56731
14 5T67 SAH 0.03382 0.40933 4.56731
15 1XTP SAI 0.009778 0.43328 4.72441
16 5GG9 8GM 0.001908 0.4231 4.97076
17 3NDJ SAH 0.02878 0.4113 5.52885
18 3NDJ JHZ 0.02878 0.4113 5.52885
19 2GZM DGL 0.01871 0.40044 6.74157
20 4Y2H SAH 0.01216 0.41238 7.67045
21 2WJH FLC 0.04427 0.40788 7.83133
22 4J4H 1J1 0.04194 0.41876 10.8108
23 4J4H NAI 0.0431 0.41876 10.8108
24 3S2Y FMN 0.02287 0.40792 12.5628
25 4IX4 ADP 0.01282 0.41858 13.4286
26 5DX0 SFG 0.00613 0.4214 14.3266
27 5DWQ SFG 0.007011 0.41878 14.3266
28 3CPJ GDP 0.0241 0.40858 17.9372
Pocket No.: 14; Query (leader) PDB : 5X7Q; Ligand: GLC GLC; Similar sites found: 18
This union binding pocket(no: 14) in the query (biounit: 5x7q.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2RCU BUJ 0.03034 0.40387 1.99081
2 2WPF FAD 0.01865 0.44391 2.22222
3 2WPF WPF 0.02405 0.43527 2.22222
4 4IGQ THR M3L GLN 0.005592 0.4244 2.5
5 4A3U FMN 0.01524 0.40945 2.51397
6 5L3W GDP 0.01427 0.41229 3.26797
7 4CLI 5P8 0.03543 0.41703 3.36391
8 5EXK MET 0.006238 0.40748 3.62538
9 4B0T ADP 0.01254 0.41937 4.0568
10 1B57 PGH 0.007411 0.40775 4.7486
11 5AYE BMA BMA 0.01334 0.40635 5.07463
12 2CDU FAD 0.03414 0.40334 5.30973
13 5FLJ QUE 0.02265 0.40527 5.37634
14 5A3T MMK 0.01511 0.41557 5.82121
15 2RDE C2E 0.01658 0.40171 6.77291
16 5F3I 5UJ 0.03008 0.43183 8.33333
17 3G35 F13 0.01234 0.40898 9.12547
18 1ZOT EMA 0.006817 0.42638 15.0838
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