Receptor
PDB id Resolution Class Description Source Keywords
1WDR 1.35 Å EC: 3.2.1.2 THE ROLE OF AN INNER LOOP IN THE CATALYTIC MECHANISM OF SOYBEAN BETA-AMYLASE GLYCINE MAX (BETA/ALPHA)8 BARREL HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF THREONINE 342 MUTANTS OF SOYBEAN BETA-AMYLASE: ROLE OF A CONFORMATIONAL CHANGE OF THE INNER LOOP IN THE CATALYTIC MECHANISM. BIOCHEMISTRY V. 44 5106 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC A:499;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
MAL MAL A:496;
Valid;
none;
Kd = 3.05 mM
684.594 n/a O(C1O...
SO4 A:2000;
A:2001;
A:2002;
A:2003;
A:2004;
A:2005;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q6D 2 Å EC: 3.2.1.2 CRYSTAL STRUCTURE OF SOYBEAN BETA-AMYLASE MUTANT (M51T) WITH INCREASED PH OPTIMUM GLYCINE MAX BETA-ALPHA-BARRELS BETA-AMYLASE MALTOSE COMPLEX INCREASED PH OPTIMUM HYDROLASE
Ref.: STRUCTURAL AND ENZYMATIC ANALYSIS OF SOYBEAN {BETA}-AMYLASE MUTANTS WITH INCREASED PH OPTIMUM J.BIOL.CHEM. V. 279 7287 2004
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1BTC - GLC GLC GLC GLC GLC GLC n/a n/a
2 1WDS - GLC BGC n/a n/a
3 1Q6D Kd = 0.46 mM GLC GLC n/a n/a
4 1BYC - GLC GLC GLC BGC n/a n/a
5 1V3H - GLC GLC GLC GLC GLC n/a n/a
6 1BYD - DOM C12 H22 O10 C1[C@H]([C....
7 1Q6E Kd = 2.4 mM GLC BGC n/a n/a
8 1BFN Ki = 1.64 mM GLC GLC GLC GLC GLC GLC GLC n/a n/a
9 1WDQ Kd = 10.45 mM MAL C12 H22 O11 C([C@@H]1[....
10 1BYB - GLC GLC GLC GLC n/a n/a
11 1WDR Kd = 3.05 mM MAL MAL n/a n/a
12 1Q6C Kd = 5.1 mM GLC GLC n/a n/a
13 1V3I - GLC GLC n/a n/a
14 1Q6F - GLC BGC n/a n/a
15 1Q6G Kd = 8.8 mM GLC GLC n/a n/a
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1BTC - GLC GLC GLC GLC GLC GLC n/a n/a
2 1WDS - GLC BGC n/a n/a
3 1Q6D Kd = 0.46 mM GLC GLC n/a n/a
4 1BYC - GLC GLC GLC BGC n/a n/a
5 1V3H - GLC GLC GLC GLC GLC n/a n/a
6 1BYD - DOM C12 H22 O10 C1[C@H]([C....
7 1Q6E Kd = 2.4 mM GLC BGC n/a n/a
8 1BFN Ki = 1.64 mM GLC GLC GLC GLC GLC GLC GLC n/a n/a
9 1WDQ Kd = 10.45 mM MAL C12 H22 O11 C([C@@H]1[....
10 1BYB - GLC GLC GLC GLC n/a n/a
11 1WDR Kd = 3.05 mM MAL MAL n/a n/a
12 1Q6C Kd = 5.1 mM GLC GLC n/a n/a
13 1V3I - GLC GLC n/a n/a
14 1Q6F - GLC BGC n/a n/a
15 1Q6G Kd = 8.8 mM GLC GLC n/a n/a
16 2XFF - QPS C25 H43 N O18 C[C@@H]1[C....
17 2XGI - EBQ C10 H18 O7 C1[C@H](O1....
18 2XFY - ACX C36 H60 O30 C([C@@H]1[....
19 2XG9 Ki = 70 uM NOJ GLC n/a n/a
20 1B1Y - GLC BGC n/a n/a
21 1FA2 - DOM C12 H22 O10 C1[C@H]([C....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1BTC - GLC GLC GLC GLC GLC GLC n/a n/a
2 1WDS - GLC BGC n/a n/a
3 1Q6D Kd = 0.46 mM GLC GLC n/a n/a
4 1BYC - GLC GLC GLC BGC n/a n/a
5 1V3H - GLC GLC GLC GLC GLC n/a n/a
6 1BYD - DOM C12 H22 O10 C1[C@H]([C....
7 1Q6E Kd = 2.4 mM GLC BGC n/a n/a
8 1BFN Ki = 1.64 mM GLC GLC GLC GLC GLC GLC GLC n/a n/a
9 1WDQ Kd = 10.45 mM MAL C12 H22 O11 C([C@@H]1[....
10 1BYB - GLC GLC GLC GLC n/a n/a
11 1WDR Kd = 3.05 mM MAL MAL n/a n/a
12 1Q6C Kd = 5.1 mM GLC GLC n/a n/a
13 1V3I - GLC GLC n/a n/a
14 1Q6F - GLC BGC n/a n/a
15 1Q6G Kd = 8.8 mM GLC GLC n/a n/a
16 2XFF - QPS C25 H43 N O18 C[C@@H]1[C....
17 2XGI - EBQ C10 H18 O7 C1[C@H](O1....
18 2XFY - ACX C36 H60 O30 C([C@@H]1[....
19 2XG9 Ki = 70 uM NOJ GLC n/a n/a
20 1B1Y - GLC BGC n/a n/a
21 1FA2 - DOM C12 H22 O10 C1[C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; 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: 2; Ligand: MAL MAL; Similar ligands found: 338
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL GLC 1 0.970588
2 BMA GAL 1 0.970588
3 BGC GLC 1 0.970588
4 GLC BGC 1 0.970588
5 GLA GAL 1 0.970588
6 LAT 1 0.970588
7 BMA BMA 1 0.970588
8 GLC GAL 1 0.970588
9 CBK 1 0.970588
10 MAL MAL 1 1
11 BGC GAL 1 0.970588
12 GAL BGC 1 0.970588
13 N9S 1 0.970588
14 LBT 1 0.970588
15 MAL 1 0.970588
16 CBI 1 0.970588
17 GLA GLA 1 0.970588
18 B2G 1 0.970588
19 BGC BMA 1 0.970588
20 MAB 1 0.970588
21 GLC BGC BGC BGC BGC 0.909091 0.970588
22 B4G 0.909091 0.970588
23 CTR 0.909091 0.970588
24 BGC GLC GLC GLC GLC GLC GLC 0.909091 0.970588
25 CE6 0.909091 0.970588
26 GLC GAL GAL 0.909091 0.970588
27 MTT 0.909091 0.970588
28 CE5 0.909091 0.970588
29 CEX 0.909091 0.970588
30 GLC BGC BGC BGC BGC BGC 0.909091 0.970588
31 GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 0.970588
32 MLR 0.909091 0.970588
33 MAN BMA BMA BMA BMA 0.909091 0.970588
34 CEY 0.909091 0.970588
35 MAN MAN BMA BMA BMA BMA 0.909091 0.970588
36 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 0.970588
37 GAL GAL GAL 0.909091 0.970588
38 BMA BMA BMA BMA BMA BMA 0.909091 0.970588
39 BGC GLC GLC GLC 0.909091 0.970588
40 BGC BGC BGC GLC 0.909091 0.970588
41 GLA GAL GLC 0.909091 0.970588
42 MT7 0.909091 0.970588
43 GLC GLC GLC GLC GLC 0.909091 0.970588
44 CTT 0.909091 0.970588
45 GLC GLC GLC GLC GLC GLC GLC 0.909091 0.970588
46 GLC BGC GLC 0.909091 0.970588
47 GLC GLC BGC 0.909091 0.970588
48 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 0.970588
49 GLC GLC BGC GLC GLC GLC GLC 0.909091 0.970588
50 BMA BMA BMA BMA BMA 0.909091 0.970588
51 BGC BGC BGC BGC BGC BGC 0.909091 0.970588
52 BGC GLC GLC GLC GLC 0.909091 0.970588
53 CT3 0.909091 0.970588
54 BGC GLC GLC 0.909091 0.970588
55 DXI 0.909091 0.970588
56 BMA MAN BMA 0.909091 0.970588
57 MAN BMA BMA 0.909091 0.970588
58 GLC BGC BGC 0.909091 0.970588
59 CE8 0.909091 0.970588
60 BMA BMA BMA 0.909091 0.970588
61 BMA BMA BMA BMA BMA BMA MAN 0.833333 1
62 MAN BMA BMA BMA BMA BMA 0.833333 1
63 GLA GAL GAL 0.816327 0.970588
64 GLA GAL BGC 0.816327 0.970588
65 BGC BGC BGC BGC 0.754717 0.970588
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 0.970588
67 BMA BMA GLA BMA BMA 0.689655 0.970588
68 LAT GLA 0.680851 0.970588
69 GLC GLC GLC BGC 0.672414 0.970588
70 BGC BGC GLC 0.660377 0.970588
71 U63 0.647059 0.868421
72 MMA MAN 0.64 0.916667
73 DR5 0.64 0.916667
74 GLA EGA 0.634615 0.916667
75 GAL FUC 0.615385 0.914286
76 BMA BMA MAN 0.615385 1
77 2M4 0.612245 0.970588
78 BGC BGC 0.612245 0.970588
79 MAN MAN 0.612245 0.970588
80 FUC LAT 0.610169 0.942857
81 GLC GLC GLC GLC GLC GLC 0.610169 0.970588
82 LAT FUC 0.610169 0.942857
83 GLC GAL FUC 0.610169 0.942857
84 BGC GAL FUC 0.610169 0.942857
85 FUC GAL GLC 0.610169 0.942857
86 BGC GLA GAL FUC 0.609375 0.942857
87 LAT NAG GAL 0.606061 0.717391
88 GAL NAG GAL BGC 0.606061 0.717391
89 BGC GAL NAG GAL 0.606061 0.717391
90 GLC GLC BGC XYS BGC XYS 0.606061 0.916667
91 SGA BGC 0.6 0.6875
92 MAN GLC 0.6 0.970588
93 LB2 0.6 0.970588
94 M3M 0.6 0.970588
95 MAL EDO 0.592593 0.916667
96 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.916667
97 BGC BGC BGC XYS GAL 0.588235 0.916667
98 BGC BGC BGC XYS BGC BGC 0.588235 0.916667
99 GLC GAL NAG GAL 0.588235 0.717391
100 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.916667
101 NGA GAL BGC 0.587302 0.717391
102 TRE 0.581395 0.970588
103 ABD 0.57971 0.733333
104 GAL NDG 0.578947 0.717391
105 NDG GAL 0.578947 0.717391
106 NLC 0.578947 0.717391
107 5GO 0.578947 0.647059
108 DEL 0.574074 0.942857
109 MVP 0.571429 0.717391
110 GAL NGA GLA BGC GAL 0.571429 0.717391
111 GLC GLC FRU 0.569231 0.846154
112 GAL BGC BGC XYS 0.569231 0.916667
113 BMA MAN 0.566038 0.888889
114 GLC GLC XYP 0.557377 0.970588
115 BGC BGC XYS BGC 0.552239 0.916667
116 NAG GAL BGC 0.552239 0.717391
117 GLA GAL BGC 5VQ 0.551724 0.868421
118 G2F BGC BGC BGC BGC BGC 0.55 0.846154
119 GLA MBG 0.54902 0.916667
120 GLC G6D ADH GLC 0.547945 0.767442
121 GLC ACI G6D BGC 0.547945 0.767442
122 GLC G6D ACI GLC 0.547945 0.767442
123 GLC ACI GLD GLC 0.547945 0.767442
124 BGC BGC BGC ASO BGC BGC ASO 0.545455 0.970588
125 GLC BGC BGC BGC 0.545455 0.970588
126 BGC BGC BGC GLC BGC BGC 0.545455 0.970588
127 BGC BGC BGC BGC BGC 0.545455 0.970588
128 GLC BGC BGC BGC BGC BGC BGC 0.545455 0.970588
129 BGC BGC BGC 0.545455 0.970588
130 MAN MAN BMA 0.535714 0.970588
131 NGA GLA GAL BGC 0.535211 0.717391
132 BMA MAN MAN 0.534483 0.970588
133 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.916667
134 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.916667
135 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.916667
136 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.916667
137 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.916667
138 FUC BGC GAL 0.52459 0.942857
139 GLA GAL GLC NBU 0.52459 0.825
140 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.767442
141 GLC ACI GLD GAL 0.519481 0.717391
142 GLC ACI G6D GLC 0.519481 0.717391
143 GLC BGC BGC BGC XYS BGC XYS XYS 0.513514 0.944444
144 DOM 0.509091 0.916667
145 GAL GAL SO4 0.508197 0.6875
146 LMT 0.507937 0.767442
147 UMQ 0.507937 0.767442
148 G2I 0.507937 0.75
149 DMU 0.507937 0.767442
150 LMU 0.507937 0.767442
151 G3I 0.507937 0.75
152 OXZ BGC BGC 0.507937 0.673469
153 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.916667
154 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.916667
155 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.916667
156 GLC AGL GLC HMC 0.506329 0.702128
157 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.916667
158 GAL BGC BGC BGC XYS XYS 0.506329 0.916667
159 8VZ 0.5 0.66
160 MAN BMA NAG 0.5 0.717391
161 GLA GAL NAG 0.5 0.717391
162 SOR GLC GLC 0.5 0.942857
163 GAL GAL GLC EMB MEC 0.5 0.611111
164 NAG GAL GAL 0.5 0.717391
165 FMO 0.5 0.846154
166 GLC GLC AGL HMC GLC 0.493827 0.717391
167 GLC GLC ACI G6D GLC GLC 0.493827 0.717391
168 ACR GLC GLC GLC 0.493827 0.717391
169 ARE 0.493827 0.717391
170 AAO 0.493827 0.717391
171 GLC GLC DAF BGC 0.493827 0.717391
172 GLC GLC XYS 0.492308 0.942857
173 CGC 0.491525 0.914286
174 5QP 0.491228 0.861111
175 M13 0.490909 0.916667
176 RZM 0.490909 0.673913
177 GAL MBG 0.490909 0.916667
178 MDM 0.490909 0.916667
179 GLC GLC GLC G6D ADH GLC 0.487805 0.708333
180 BGC BGC G2F SHG 0.485714 0.871795
181 MAN NAG GAL 0.485294 0.717391
182 GAL NAG MAN 0.485294 0.717391
183 6UZ 0.484848 0.825
184 SOR GLC GLC GLC 0.484848 0.942857
185 MAN MNM 0.482759 0.733333
186 GAL BGC NAG GAL 0.478873 0.717391
187 GTM BGC BGC 0.477612 0.846154
188 10M 0.477612 0.717391
189 MAN MAN MAN MAN 0.476923 0.970588
190 MAN MAN BMA MAN 0.476923 0.970588
191 GLA GAL NAG FUC GAL GLC 0.47619 0.702128
192 NAG BMA 0.47619 0.64
193 GAL NGA 0.47541 0.717391
194 GAL A2G 0.47541 0.717391
195 A2G GAL 0.47541 0.717391
196 BMA GLA 0.472727 0.970588
197 LAK 0.472727 0.970588
198 GAL GAL 0.472727 0.970588
199 GLA GLC 0.472727 0.970588
200 MLB 0.472727 0.970588
201 GLA BMA 0.472727 0.970588
202 BGC GLA 0.472727 0.970588
203 MAN BMA 0.472727 0.970588
204 GLA BGC 0.472727 0.970588
205 NPJ 0.470588 0.611111
206 FUC GAL NAG GAL BGC 0.469136 0.702128
207 MAN MAN MAN GLC 0.46875 0.970588
208 ABL 0.466667 0.6875
209 BMA FRU 0.465517 0.820513
210 FRU GAL 0.465517 0.820513
211 NOY BGC 0.465517 0.733333
212 TM6 0.463768 0.891892
213 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.891892
214 LSE 0.462687 0.673469
215 GLA GLA FUC 0.460317 0.942857
216 FUC GAL GLA 0.460317 0.942857
217 GAL GAL FUC 0.460317 0.942857
218 GLA GAL FUC 0.460317 0.942857
219 FUC GLA GLA 0.460317 0.942857
220 DAF BGC 0.458333 0.767442
221 DAF GLC 0.458333 0.767442
222 IFM BMA 0.457627 0.727273
223 BGC OXZ 0.457627 0.653061
224 IFM BGC 0.457627 0.727273
225 BMA IFM 0.457627 0.727273
226 9MR 0.457627 0.727273
227 RCB 0.457143 0.611111
228 GLO GLC GLC 0.457143 0.916667
229 GLC GLC GLC 0.45614 0.970588
230 MAN MAN MAN 0.45614 0.970588
231 GLC GLC GLC GLC GLC BGC 0.45614 0.970588
232 GLC GLC GLC GLC BGC 0.45614 0.970588
233 GLC 0.454545 0.823529
234 GLA 0.454545 0.823529
235 GIV 0.454545 0.823529
236 GXL 0.454545 0.823529
237 WOO 0.454545 0.823529
238 BMA 0.454545 0.823529
239 GAL 0.454545 0.823529
240 MAN 0.454545 0.823529
241 ALL 0.454545 0.823529
242 BGC 0.454545 0.823529
243 GLC GLC GLC GLC 0.453125 0.970588
244 CM5 0.450704 0.868421
245 MGL SGC GLC GLC 0.450704 0.846154
246 MAN MAN MAN BMA MAN 0.450704 0.970588
247 BGC BGC SGC MGL 0.450704 0.846154
248 GLC GLC GLC PO4 SGC GLC 0.45 0.66
249 GLC DMJ 0.45 0.711111
250 NOJ GLC 0.45 0.711111
251 A2G GAL BGC FUC 0.45 0.702128
252 GCS GCS 0.448276 0.785714
253 PA1 GCS 0.448276 0.785714
254 MAN BMA MAN MAN MAN 0.447761 0.970588
255 M5S 0.447761 0.970588
256 GLC GLC XYS XYS 0.447761 0.888889
257 GAC 0.447368 0.75
258 TXT 0.447368 0.75
259 ACI GLD GLC GAL 0.447368 0.767442
260 DAF GLC GLC 0.447368 0.767442
261 DAF BGC GLC 0.447368 0.767442
262 GLC GAL NAG GAL FUC FUC 0.447059 0.6875
263 BGC GAL NAG GAL FUC FUC 0.447059 0.6875
264 GAL NAG GAL NAG GAL NAG 0.445946 0.66
265 NAG GAL GAL NAG 0.445946 0.673469
266 NAG GAL GAL NAG GAL 0.445946 0.673469
267 QV4 0.444444 0.717391
268 GLO GLC GLC GLC 0.444444 0.916667
269 MA4 0.444444 0.868421
270 MAN DGO 0.440678 0.888889
271 3SA 0.44 0.717391
272 Z6J 0.439024 0.722222
273 AHR 0.439024 0.722222
274 32O 0.439024 0.722222
275 RIB 0.439024 0.722222
276 FUB 0.439024 0.722222
277 T6P 0.438596 0.75
278 GYP 0.4375 0.833333
279 AMG 0.4375 0.833333
280 MMA 0.4375 0.833333
281 MBG 0.4375 0.833333
282 4MU BGC BGC 0.434211 0.75
283 ISX 0.433333 0.744186
284 MAN 7D1 0.431034 0.864865
285 QPS 0.43038 0.717391
286 ACR 0.43038 0.717391
287 GAL MGC 0.428571 0.6875
288 4MU BGC BGC BGC BGC 0.428571 0.75
289 GAL NGA A2G 0.426471 0.693878
290 FUC NDG GAL 0.422535 0.702128
291 FUC NAG GAL 0.422535 0.702128
292 GAL NDG FUC 0.422535 0.702128
293 GAL NAG FUC 0.422535 0.702128
294 HMC AGL GLC 0.421053 0.702128
295 KHO 0.421053 0.864865
296 GCS GCS GCS 0.419355 0.785714
297 GCS GCS GCS GCS GCS 0.419355 0.785714
298 GCS GCS GCS GCS GCS GCS 0.419355 0.785714
299 GAL NAG GAL 0.418919 0.6875
300 P3M 0.41791 0.75
301 GAL NGT 0.41791 0.647059
302 NGT GAL 0.41791 0.647059
303 ACR GLC 0.417722 0.717391
304 ACR GLC GLC GLC GLC 0.417722 0.717391
305 GLC GAL NAG GAL FUC A2G 0.417582 0.66
306 A2G GAL NAG FUC GAL GLC 0.417582 0.66
307 BTU 0.416667 0.820513
308 TUR 0.416667 0.820513
309 GLA MAN ABE 0.414286 0.891892
310 NAG NAG BMA 0.413333 0.622642
311 NAG NDG BMA 0.413333 0.622642
312 AHR AHR AHR 0.410714 0.833333
313 FUB AHR AHR 0.410714 0.833333
314 GLF B8D 0.409836 0.756098
315 VAM 0.409836 0.846154
316 ACI G6D GLC ACI G6D BGC 0.409639 0.733333
317 DAF GLC DAF GLC GLC 0.409639 0.733333
318 AC1 GLC AC1 BGC 0.409639 0.733333
319 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.733333
320 ACI GLD GLC ACI G6D BGC 0.409639 0.733333
321 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.733333
322 MAN MMA MAN 0.409091 0.916667
323 AHR AHR 0.407407 0.833333
324 FUB AHR 0.407407 0.833333
325 NAG BMA MAN MAN MAN MAN 0.407407 0.717391
326 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.666667
327 4U0 0.406593 0.647059
328 GLA MAN RAM ABE 0.405063 0.868421
329 BGC BGC SSG PIH 0.405063 0.75
330 M1P 0.403846 0.681818
331 GL1 0.403846 0.681818
332 XGP 0.403846 0.681818
333 G1P 0.403846 0.681818
334 MAN IFM 0.403226 0.744186
335 GLC IFM 0.403226 0.744186
336 XZZ BGC BGC 0.402439 0.6875
337 ACG 0.402299 0.680851
338 FUC GAL 0.4 0.914286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q6D; Ligand: GLC GLC; Similar sites found: 30
This union binding pocket(no: 1) in the query (biounit: 1q6d.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1O68 KIV 0.0117 0.43941 1.09091
2 3ORQ ADP 0.01546 0.40391 1.32626
3 4YMJ 4EJ 0.03006 0.41834 1.64474
4 4JN6 OXL 0.0231 0.42217 1.96078
5 5JBE MAL 0.01198 0.45193 2.22222
6 5X30 HCS 0.02354 0.41228 2.26131
7 1OBB MAL 0.02962 0.41109 2.29167
8 2VN9 GVD 0.04376 0.40807 2.32558
9 4I3G BGC 0.02858 0.4142 2.62626
10 4AIA ADK 0.02884 0.41117 2.65957
11 1TKK ALA GLU 0.01338 0.41634 2.73224
12 4BS0 6NT 0.04172 0.40539 3.14465
13 2UXR ICT 0.0415 0.40934 3.23383
14 1GQ2 OXL 0.01385 0.4429 4.0404
15 1NVM OXL 0.047 0.40028 4.05797
16 5FYR INS 0.04707 0.40604 4.36242
17 4AZT LY2 0.04305 0.40109 5.05051
18 5OO5 UUA 0.01733 0.41089 5.64516
19 5M42 FMN 0.01395 0.41545 5.73477
20 1M3U KPL 0.01441 0.43002 6.06061
21 5DYO FLU 0.03297 0.41262 6.13208
22 2X1E X1E 0.01433 0.43148 6.16247
23 1W0O SIA 0.02309 0.42747 6.86869
24 4FXQ G9L 0.04636 0.408 6.95652
25 4CUB GAL NAG 0.009969 0.44106 7.65027
26 3PTG 932 0.04221 0.40511 8.81543
27 1VKF CIT 0.03608 0.4127 9.04255
28 1UYY BGC BGC 0.03799 0.41146 9.16031
29 3H22 B53 0.02711 0.4116 10.7744
30 1SO0 GAL 0.04446 0.40769 11.6279
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