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Receptor
PDB id Resolution Class Description Source Keywords
2GJP 1.9 Å EC: 3.2.1.1 STRUCTURE OF BACILLUS HALMAPALUS ALPHA-AMYLASE, CRYSTALLIZED SUBSTRATE ANALOGUE ACARBOSE AND MALTOSE BACILLUS HALMAPALUS ALPHA-AMYLASE MALTOSE BINDING SITE BACILLUS HALMAPALUS HY
Ref.: STRUCTURE OF BACILLUS HALMAPALUS ALPHA-AMYLASE CRYS WITH AND WITHOUT THE SUBSTRATE ANALOGUE ACARBOSE AN MALTOSE. ACTA CRYSTALLOGR.,SECT.F V. 62 849 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC GLC DAF GLC GLC GLC DAF A:1490;
Valid;
none;
submit data
1439.37 n/a O(C1C...
CA A:1486;
A:1487;
A:1488;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC A:1300;
A:1301;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
MAL A:1400;
Valid;
none;
submit data
342.296 C12 H22 O11 C([C@...
NA A:1489;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GJP 1.9 Å EC: 3.2.1.1 STRUCTURE OF BACILLUS HALMAPALUS ALPHA-AMYLASE, CRYSTALLIZED SUBSTRATE ANALOGUE ACARBOSE AND MALTOSE BACILLUS HALMAPALUS ALPHA-AMYLASE MALTOSE BINDING SITE BACILLUS HALMAPALUS HY
Ref.: STRUCTURE OF BACILLUS HALMAPALUS ALPHA-AMYLASE CRYS WITH AND WITHOUT THE SUBSTRATE ANALOGUE ACARBOSE AN MALTOSE. ACTA CRYSTALLOGR.,SECT.F V. 62 849 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 2GJP - GLC C6 H12 O6 C([C@@H]1[....
2 1W9X - BGC GLC AC1 GLC GLC GLC AC1 n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GJP - GLC C6 H12 O6 C([C@@H]1[....
2 1W9X - BGC GLC AC1 GLC GLC GLC AC1 n/a n/a
3 1E3Z - ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC n/a n/a
4 1E40 - GLC GLC GLC n/a n/a
5 2D3N - GLC C6 H12 O6 C([C@@H]1[....
6 2D3L - GLC C6 H12 O6 C([C@@H]1[....
7 1WPC - GLC GLC n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GJP - GLC C6 H12 O6 C([C@@H]1[....
2 1W9X - BGC GLC AC1 GLC GLC GLC AC1 n/a n/a
3 1E3Z - ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC n/a n/a
4 1E40 - GLC GLC GLC n/a n/a
5 2D3N - GLC C6 H12 O6 C([C@@H]1[....
6 2D3L - GLC C6 H12 O6 C([C@@H]1[....
7 1WPC - GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC GLC DAF GLC GLC GLC DAF; Similar ligands found: 37
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GLC DAF GLC GLC GLC DAF 1 1
2 ACR GLC GLC GLC GLC 0.802198 0.921569
3 ACR GLC 0.802198 0.921569
4 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.73 0.960784
5 ACI G6D GLC ACI G6D GLC GLC 0.73 0.960784
6 HSD G6D GLC HSD G6D GLC GLC 0.73 0.960784
7 HSD G6D GLC HSD G6D GLC BGC 0.73 0.960784
8 ACI GLD GLC ACI G6D BGC 0.714286 0.921569
9 DAF GLC DAF GLC GLC 0.714286 0.921569
10 ACI G6D GLC ACI G6D BGC 0.714286 0.921569
11 AC1 GLC AC1 BGC 0.714286 0.921569
12 BGC GLC AC1 GLC GLC GLC AC1 0.714286 0.921569
13 GLC GLC G6D ACI GLC GLC GLC 0.714286 0.882353
14 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.714286 0.921569
15 GLC G6D ADH GLC 0.673469 0.882353
16 GLC G6D ACI GLC 0.673469 0.882353
17 GLC ACI GLD GLC 0.673469 0.882353
18 GLC ACI G6D BGC 0.673469 0.882353
19 DAF GLC GLC 0.632653 0.882353
20 ACI GLD GLC GAL 0.632653 0.882353
21 DAF BGC GLC 0.632653 0.882353
22 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.607477 0.941176
23 GLC GLC AGL HMC GLC 0.607477 0.921569
24 GLC GLC DAF BGC 0.607477 0.921569
25 ACR GLC GLC GLC 0.607477 0.921569
26 GLC GLC ACI G6D GLC GLC 0.607477 0.921569
27 AGL GLC HMC AGL GLC BGC 0.59633 0.941176
28 DAF GLC 0.581633 0.882353
29 DAF BGC 0.581633 0.882353
30 GLC ACI G6D GLC 0.570093 0.921569
31 GLC ACI GLD GAL 0.570093 0.921569
32 QPS 0.477477 0.882353
33 ACR 0.477477 0.882353
34 7SA 0.438017 0.921569
35 3SA 0.432432 0.882353
36 GAC 0.4 0.843137
37 TXT 0.4 0.843137
Ligand no: 2; Ligand: GLC; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 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 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 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 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Ligand no: 3; Ligand: MAL; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GLA 1 1
2 GAL BGC 1 1
3 GLC GAL 1 1
4 BMA GAL 1 1
5 LBT 1 1
6 BGC GAL 1 1
7 CBI 1 1
8 MAL 1 1
9 CBK 1 1
10 BGC BMA 1 1
11 N9S 1 1
12 MAB 1 1
13 LAT 1 1
14 GLA GAL 1 1
15 B2G 1 1
16 BMA BMA BMA 0.909091 1
17 GLA GAL GLC 0.909091 1
18 GLC BGC BGC 0.909091 1
19 GLC BGC BGC BGC 0.909091 1
20 GLC GLC GLC GLC GLC 0.909091 1
21 CT3 0.909091 1
22 BGC GLC GLC GLC 0.909091 1
23 BGC BGC BGC BGC 0.909091 1
24 CTT 0.909091 1
25 CTR 0.909091 1
26 GLC GAL GAL 0.909091 1
27 MAN BMA BMA BMA BMA BMA 0.909091 1
28 BGC BGC BGC GLC 0.909091 1
29 CEY 0.909091 1
30 B4G 0.909091 1
31 BGC BGC BGC 0.909091 1
32 GLC GLC BGC 0.909091 1
33 CE5 0.909091 1
34 BGC BGC BGC BGC BGC BGC 0.909091 1
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
36 BMA BMA BMA BMA BMA BMA 0.909091 1
37 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
38 GLA GAL BGC 0.909091 1
39 MLR 0.909091 1
40 MAN BMA BMA 0.909091 1
41 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
42 BMA BMA BMA BMA BMA 0.909091 1
43 BGC BGC GLC 0.909091 1
44 MAN MAN BMA BMA BMA BMA 0.909091 1
45 BGC GLC GLC 0.909091 1
46 BGC BGC BGC BGC BGC 0.909091 1
47 MT7 0.909091 1
48 GLC BGC BGC BGC BGC 0.909091 1
49 CE6 0.909091 1
50 MTT 0.909091 1
51 CE8 0.909091 1
52 MAN BMA BMA BMA BMA 0.909091 1
53 GLC BGC GLC 0.909091 1
54 DXI 0.909091 1
55 GLC BGC BGC BGC BGC BGC 0.909091 1
56 CEX 0.909091 1
57 GAL GAL GAL 0.909091 1
58 BMA MAN BMA 0.909091 1
59 BGC GLC GLC GLC GLC 0.909091 1
60 GLA GAL GAL 0.816327 1
61 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
62 BMA BMA GLA BMA BMA 0.689655 1
63 XYT 0.685185 0.767442
64 LAT GLA 0.680851 1
65 GLC GLC GLC BGC 0.672414 1
66 U63 0.647059 0.891892
67 MMA MAN 0.64 0.942857
68 DR5 0.64 0.942857
69 GLA EGA 0.634615 0.942857
70 GAL FUC 0.615385 0.941176
71 2M4 0.612245 1
72 BGC GAL FUC 0.610169 0.970588
73 FUC GAL GLC 0.610169 0.970588
74 8B7 0.610169 0.970588
75 GLC GAL FUC 0.610169 0.970588
76 LAT FUC 0.610169 0.970588
77 BGC GLA GAL FUC 0.609375 0.970588
78 BQZ 0.608696 0.909091
79 BGC GAL NAG GAL 0.606061 0.733333
80 GAL NAG GAL GLC 0.606061 0.733333
81 BMA BMA BMA BMA 0.603448 0.941176
82 M3M 0.6 1
83 LB2 0.6 1
84 NGR 0.6 1
85 MAN GLC 0.6 1
86 MAL EDO 0.592593 0.942857
87 BGC BGC BGC XYS GAL 0.588235 0.942857
88 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
89 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
90 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
91 LAT NAG GAL 0.588235 0.733333
92 GLC GAL NAG GAL 0.588235 0.733333
93 NGA GAL BGC 0.587302 0.733333
94 TRE 0.581395 1
95 ABD 0.57971 0.75
96 NLC 0.578947 0.733333
97 NDG GAL 0.578947 0.733333
98 GAL NDG 0.578947 0.733333
99 5GO 0.578947 0.66
100 DEL 0.574074 0.970588
101 MVP 0.571429 0.733333
102 GAL NGA GLA BGC GAL 0.571429 0.733333
103 GAL BGC BGC XYS 0.569231 0.942857
104 SGA BGC 0.568965 0.66
105 BGC BGC 0.566038 0.914286
106 BMA BMA 0.566038 0.914286
107 GLC GLC XYP 0.557377 1
108 BGC BGC XYS BGC 0.552239 0.942857
109 NAG GAL BGC 0.552239 0.733333
110 GLA GAL BGC 5VQ 0.551724 0.891892
111 G2F BGC BGC BGC BGC BGC 0.55 0.868421
112 GLA MBG 0.54902 0.942857
113 GLC ACI G6D BGC 0.547945 0.733333
114 GLC G6D ACI GLC 0.547945 0.733333
115 GLC ACI GLD GLC 0.547945 0.733333
116 GLC G6D ADH GLC 0.547945 0.733333
117 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
118 BGC BGC BGC GLC BGC BGC 0.545455 1
119 BMA BMA MAN 0.535714 1
120 MAN MAN BMA 0.535714 1
121 NGA GLA GAL BGC 0.535211 0.733333
122 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
123 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
124 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
125 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
126 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
127 BMA MAN MAN MAN 0.525424 1
128 GLA GAL GLC NBU 0.52459 0.846154
129 FUC BGC GAL 0.52459 0.970588
130 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.733333
131 GLC ACI GLD GAL 0.519481 0.702128
132 GLC ACI G6D GLC 0.519481 0.702128
133 BGC BGC BGC FRU 0.516129 0.868421
134 DOM 0.509091 0.942857
135 G3I 0.507937 0.767442
136 LMU 0.507937 0.785714
137 DMU 0.507937 0.785714
138 UMQ 0.507937 0.785714
139 OXZ BGC BGC 0.507937 0.6875
140 G2I 0.507937 0.767442
141 LMT 0.507937 0.785714
142 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
143 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
144 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
145 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
146 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
147 FMO 0.5 0.868421
148 MAN BMA NAG 0.5 0.733333
149 SOR GLC GLC 0.5 0.970588
150 GLA GAL NAG 0.5 0.733333
151 8VZ 0.5 0.673469
152 ACR GLC GLC GLC 0.493827 0.702128
153 GLC GLC DAF BGC 0.493827 0.702128
154 GLC GLC ACI G6D GLC GLC 0.493827 0.702128
155 ARE 0.493827 0.733333
156 GLC GLC AGL HMC GLC 0.493827 0.702128
157 AAO 0.493827 0.733333
158 GLC GLC XYS 0.492308 0.970588
159 MAN BMA MAN 0.491803 1
160 CGC 0.491525 0.941176
161 5QP 0.491228 0.885714
162 GAL MBG 0.490909 0.942857
163 MDM 0.490909 0.942857
164 RZM 0.490909 0.688889
165 M13 0.490909 0.942857
166 GAL NAG MAN 0.485294 0.733333
167 SOR GLC GLC GLC 0.484848 0.970588
168 GLO GLC GLC GLC 0.484848 0.970588
169 6UZ 0.484848 0.846154
170 LAG 0.484848 0.6
171 GAL BGC NAG GAL 0.478873 0.733333
172 GTM BGC BGC 0.477612 0.868421
173 10M 0.477612 0.733333
174 MAN MAN MAN MAN 0.476923 1
175 MAN MAN BMA MAN 0.476923 1
176 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
177 GAL GAL SO4 0.47619 0.66
178 NAG BMA 0.47619 0.653061
179 GAL NGA 0.47541 0.733333
180 A2G GAL 0.47541 0.733333
181 GAL A2G 0.47541 0.733333
182 GLA BMA 0.472727 1
183 GLC BGC 0.472727 1
184 GAL GAL 0.472727 1
185 GLA GLC 0.472727 1
186 BGC GLA 0.472727 1
187 GAL GLC 0.472727 1
188 GLA BGC 0.472727 1
189 BMA GLA 0.472727 1
190 BMA MAN 0.472727 1
191 MAN MAN 0.472727 1
192 BGC GLC 0.472727 1
193 MLB 0.472727 1
194 GLC GLC 0.472727 1
195 MAN BMA 0.472727 1
196 LAK 0.472727 1
197 NPJ 0.470588 0.622642
198 FUC GAL NAG GAL BGC 0.469136 0.717391
199 GAL GLC NAG GAL FUC 0.469136 0.717391
200 GLC NAG GAL GAL FUC 0.469136 0.717391
201 MAN MAN MAN GLC 0.46875 1
202 ABL 0.466667 0.702128
203 FRU GAL 0.465517 0.842105
204 BMA FRU 0.465517 0.842105
205 DAF BGC 0.464789 0.733333
206 DAF GLC 0.464789 0.733333
207 TM6 0.463768 0.916667
208 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
209 LSE 0.462687 0.6875
210 FUC GLA GLA 0.460317 0.970588
211 GAL GAL FUC 0.460317 0.970588
212 FUC GAL GLA 0.460317 0.970588
213 GLA GLA FUC 0.460317 0.970588
214 GLA GAL FUC 0.460317 0.970588
215 IFM BMA 0.457627 0.711111
216 9MR 0.457627 0.744186
217 IFM BGC 0.457627 0.711111
218 BMA IFM 0.457627 0.711111
219 BGC OXZ 0.457627 0.666667
220 RCB 0.457143 0.622642
221 GLO GLC GLC 0.457143 0.942857
222 MAN MAN MAN 0.45614 1
223 GLC GLC GLC GLC BGC 0.45614 1
224 GLC GLC GLC GLC GLC BGC 0.45614 1
225 BMA MAN MAN 0.45614 1
226 GLC GLC GLC 0.45614 1
227 WOO 0.454545 0.848485
228 GIV 0.454545 0.848485
229 BGC 0.454545 0.848485
230 ALL 0.454545 0.848485
231 GAL 0.454545 0.848485
232 GLA 0.454545 0.848485
233 GLC 0.454545 0.848485
234 GXL 0.454545 0.848485
235 BMA 0.454545 0.848485
236 MAN 0.454545 0.848485
237 ACI GLD GLC GAL 0.453333 0.733333
238 DAF BGC GLC 0.453333 0.733333
239 DAF GLC GLC 0.453333 0.733333
240 MGL SGC BGC BGC 0.450704 0.868421
241 MGL SGC GLC GLC 0.450704 0.868421
242 CM5 0.450704 0.891892
243 MAN MAN MAN BMA MAN 0.450704 1
244 BGC BGC SGC MGL 0.450704 0.868421
245 MAN MNM 0.45 0.702128
246 GLC DMJ 0.45 0.695652
247 A2G GAL BGC FUC 0.45 0.717391
248 NOJ GLC 0.45 0.695652
249 NOY BGC 0.45 0.702128
250 BMA MAN MAN MAN MAN 0.449275 1
251 GCS GCS 0.448276 0.767442
252 PA1 GCS 0.448276 0.767442
253 M5S 0.447761 1
254 MAN BMA MAN MAN MAN 0.447761 1
255 TXT 0.447368 0.767442
256 GAC 0.447368 0.767442
257 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
258 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
259 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
260 NAG GAL GAL NAG GAL 0.445946 0.6875
261 NAG GAL GAL NAG 0.445946 0.6875
262 MA4 0.444444 0.891892
263 QV4 0.444444 0.733333
264 MAN DGO 0.440678 0.914286
265 3SA 0.44 0.733333
266 Z6J 0.439024 0.742857
267 GLC GLC GLC PO4 SGC GLC 0.439024 0.66
268 AHR 0.439024 0.742857
269 RIB 0.439024 0.742857
270 FUB 0.439024 0.742857
271 32O 0.439024 0.742857
272 T6P 0.438596 0.767442
273 MMA 0.4375 0.857143
274 MBG 0.4375 0.857143
275 GYP 0.4375 0.857143
276 AMG 0.4375 0.857143
277 MAN G63 0.435484 0.653061
278 GDQ GLC 0.435484 0.666667
279 4MU BGC BGC 0.434211 0.767442
280 ISX 0.433333 0.761905
281 MAN 7D1 0.431034 0.888889
282 ACR 0.43038 0.733333
283 QPS 0.43038 0.733333
284 GAL MGC 0.428571 0.702128
285 4MU BGC BGC BGC BGC 0.428571 0.767442
286 GAL NDG FUC 0.422535 0.717391
287 FUC NDG GAL 0.422535 0.717391
288 HMC AGL GLC 0.421053 0.717391
289 KHO 0.421053 0.888889
290 GCS GCS GCS 0.419355 0.767442
291 GCS GCS GCS GCS GCS 0.419355 0.767442
292 GCS GCS GCS GCS GCS GCS 0.419355 0.767442
293 GAL NAG GAL 0.418919 0.702128
294 NGT GAL 0.41791 0.66
295 GAL NGT 0.41791 0.66
296 P3M 0.41791 0.767442
297 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
298 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
299 TUR 0.416667 0.842105
300 BTU 0.416667 0.842105
301 GLC FRU 0.416667 0.842105
302 GLA MAN ABE 0.414286 0.916667
303 NAG NAG BMA 0.413333 0.634615
304 NAG NDG BMA 0.413333 0.634615
305 ACR GLC GLC GLC GLC 0.4125 0.702128
306 ACR GLC 0.4125 0.702128
307 AHR AHR AHR AHR AHR AHR 0.410714 0.857143
308 FUB AHR AHR 0.410714 0.857143
309 VAM 0.409836 0.868421
310 GLF B8D 0.409836 0.775
311 DAF GLC DAF GLC GLC 0.409639 0.702128
312 ACI GLD GLC ACI G6D BGC 0.409639 0.702128
313 AC1 GLC AC1 BGC 0.409639 0.702128
314 ACI G6D GLC ACI G6D BGC 0.409639 0.702128
315 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.702128
316 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.702128
317 MAN MMA MAN 0.409091 0.942857
318 FUB AHR 0.407407 0.857143
319 AHR AHR 0.407407 0.857143
320 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.653061
321 4U0 0.406593 0.66
322 BGC BGC SSG PIH 0.405063 0.767442
323 GLA MAN RAM ABE 0.405063 0.891892
324 G1P 0.403846 0.697674
325 GL1 0.403846 0.697674
326 XGP 0.403846 0.697674
327 M1P 0.403846 0.697674
328 GLC IFM 0.403226 0.727273
329 MAN IFM 0.403226 0.727273
330 MAN MAN MAN MAN MAN MAN MAN 0.402597 1
331 XZZ BGC BGC 0.402439 0.702128
332 ACG 0.402299 0.695652
333 FUC GAL 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GJP; Ligand: MAL; Similar sites found with APoc: 311
This union binding pocket(no: 1) in the query (biounit: 2gjp.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1UWK NAD 1.03093
2 1UWK URO 1.03093
3 2WET FAD 1.03093
4 3EYA FAD 1.23711
5 3WQT ANP 1.23967
6 1E3I CXF 1.32979
7 4YNU FAD 1.4433
8 4YNU LGC 1.4433
9 5L77 GUX 1.4433
10 4RLQ 3SK 1.4433
11 5Y9D FAD 1.4433
12 6A3J NAI 1.46341
13 6A3J SOE 1.46341
14 3C1M ANP 1.47992
15 3ETG GLU 1.64948
16 3ETG NDP 1.64948
17 3ETG GTP 1.64948
18 2RGH FAD 1.64948
19 2RGO FAD 1.64948
20 5DNC ASN 1.64948
21 1REO FAD 1.64948
22 5BVE 4VG 1.66205
23 5Z21 NAI 1.67598
24 1E5Q NDP 1.77778
25 6EQS BV8 1.81818
26 3RIY NAD 1.8315
27 1MUU NAD 1.83486
28 4AP3 NAP 1.85567
29 4AP3 FAD 1.85567
30 5J7X FAD 1.85567
31 1QO8 FAD 1.85567
32 4D04 NAP 1.85567
33 4D04 FAD 1.85567
34 5UAO FAD 1.85567
35 4L9I 8PR 1.85567
36 1V8B NAD 1.87891
37 1G60 SAM 1.92308
38 3LXD FAD 1.92771
39 3LM9 ADP 1.98676
40 2IXB A2G 2.02703
41 2IXB NAD 2.02703
42 2IV3 UDP 2.04678
43 2ZXI FAD 2.06186
44 4D57 ARG AMP 2.06186
45 2Q28 ADP 2.06186
46 1PS9 NAP 2.06186
47 5JWC FAD 2.06186
48 2D7I UDP 2.06186
49 4XB2 HSE 2.08955
50 2ZYI STE 2.10526
51 3M89 GSP 2.10773
52 4NW6 2NS 2.16718
53 5NA1 FAD 2.20588
54 3AY6 NAI 2.23048
55 3DUW SAH 2.24215
56 1W5F G2P 2.26629
57 3OZ2 FAD 2.267
58 2C31 ADP 2.26804
59 2C31 TZD 2.26804
60 1X87 NAD 2.26804
61 5TS5 FAD 2.27273
62 2AG8 NAP 2.28137
63 4KRG SAH 2.36052
64 6CEP OXM 2.39521
65 6CEP NAD 2.39521
66 1D1T NAD 2.41287
67 1PZG A3D 2.41692
68 5A1S FLC 2.45536
69 5M67 3D1 2.50522
70 5M67 NAD 2.50522
71 3NKS FAD 2.51572
72 4YRY NAD 2.53623
73 2Q0L FAD 2.57235
74 2R0D 4IP 2.59366
75 1QFY NAP 2.5974
76 1QFY FAD 2.5974
77 1LJ8 NAD 2.68041
78 1M2W NAD 2.68041
79 3GLC R5P 2.71186
80 2C77 GNP 2.71605
81 1SC6 NAD 2.72277
82 1H5S TMP 2.73038
83 5YB7 FAD 2.75862
84 5YB7 ORN 2.75862
85 1IUP ALQ 2.83688
86 1VQW FAD 2.84464
87 1WPQ NAD 2.86533
88 5GSN FAD 2.86976
89 2R09 4IP 2.88184
90 4EPL JAI 2.8866
91 4Z24 FAD 2.8866
92 2GV8 NDP 2.90828
93 1IYE PGU 2.91262
94 2Q1S NAI 2.91777
95 2IZ1 ATR 2.95359
96 2C91 NAP 2.95858
97 1D4D FAD 2.97203
98 1DSS NAD 3.003
99 6BII NAP 3.003
100 2WBP SIN 3.07263
101 2WBP ZZU 3.07263
102 1IIM TTP 3.08219
103 1NZQ 162 3.0888
104 2FEQ 34P 3.0888
105 2ANK N12 3.0888
106 1O0D 163 3.0888
107 2FES 3SP 3.0888
108 2A2X NA9 3.0888
109 6ER9 FAD 3.09278
110 2ZUX RAM 3.09278
111 1YY5 FAD 3.09278
112 2DDH HXD 3.09278
113 1EB1 ZAL PRO MMO 3.11284
114 2ANM CDO 3.11284
115 2G5C NAD 3.20285
116 3E8N ATP 3.22581
117 3E8N VRA 3.22581
118 4REP FAD 3.23232
119 4NTD FAD 3.23529
120 5NII FAD 3.23625
121 4OM8 NAD 3.23625
122 2W41 ADP 3.29897
123 4N49 SAM 3.29897
124 6AA8 NAD 3.31126
125 4EI7 GDP 3.3419
126 1P9P SAH 3.44828
127 1E3W NAD 3.44828
128 1E6W NAD 3.46154
129 6F3M NAD 3.47826
130 5K5Z ANP 3.50318
131 5WKC TP9 3.50515
132 5WKC AUJ 3.50515
133 1T9D P22 3.50515
134 2AQJ TRP 3.50515
135 2AQJ FAD 3.50515
136 1T9D PYD 3.50515
137 1T9D 1MM 3.50515
138 1T9D P25 3.50515
139 1T9D FAD 3.50515
140 3DVA TPW 3.52304
141 4ZNO SUC 3.58209
142 4JDR FAD 3.5865
143 2BSA FAD 3.63036
144 3MKH FAD 3.65297
145 2O4C NAD 3.68421
146 3W2E FAD 3.69004
147 3W2E NAD 3.69004
148 3ZQ6 ADP ALF 3.7037
149 3GZ8 APR 3.7037
150 1PJS NAD 3.71991
151 2VT3 ATP 3.72093
152 1PVN MZP 3.7234
153 2RGJ FAD 3.73134
154 5CUQ NSC 3.74532
155 1KOR ARG 3.75
156 1KOR SIN 3.75
157 1KOR ANP 3.75
158 3AXB FAD 3.79464
159 4GKV NAD 3.86905
160 5HTX ADP 3.87244
161 4IXH IMP 3.87812
162 4N02 FNR 3.92157
163 5XKT GNP 4
164 5Z2L NDP 4.08163
165 1XHC FAD 4.08719
166 1COY AND 4.12371
167 5GT9 NAP 4.18251
168 4XQC 13D 4.21053
169 4XQC NAD 4.21053
170 3CTL S6P 4.329
171 5NDF LU2 4.3299
172 5NDF UDP 4.3299
173 1FEC FAD 4.3299
174 2CDC XYP 4.37158
175 2CDC XYS 4.37158
176 2CDC NAP 4.37158
177 1NW5 SAM 4.38871
178 3LL5 IPE 4.41767
179 3LL5 ADP 4.41767
180 6F7L FAD 4.52489
181 3HVJ 705 4.52489
182 4I42 1HA 4.5614
183 1FHX 4IP 4.65116
184 4D7E FAD 4.662
185 2ZIF SAM 4.7138
186 2VVL FAD 4.74227
187 1LDN NAD 4.74684
188 3QWI CUE 4.81482
189 3QWI NAP 4.81482
190 1QPG MAP 4.81928
191 4PLT OXM 4.83384
192 4PLT NAI 4.83384
193 3ZLQ 6T9 4.91803
194 3QVP FAD 4.94845
195 3GDN HBX 4.94845
196 4IV9 FAD 4.94845
197 1LLU NAD 4.97076
198 5J60 FAD 5
199 1XKQ NDP 5
200 5VW2 FDA 5.06329
201 5VW2 NAP 5.06329
202 4QIJ 1HA 5.08982
203 1HYH NAD 5.17799
204 2B4R NAD 5.21739
205 3GQI ACP 5.30973
206 4B1W ATP 5.31915
207 4B1V ATP 5.31915
208 1A5Z NAD 5.32915
209 1KXP ATP 5.33333
210 3RNM FAD 5.36082
211 5NEA 8V8 5.38462
212 4RSL FAD 5.39326
213 5O9F NAD 5.39773
214 4YMH SAH 5.41667
215 2B9W FAD 5.42453
216 2WA2 SAM 5.43478
217 1UDY FAD 5.55556
218 1UDY CS8 5.55556
219 3CIF G3H 5.57103
220 3MN5 ATP 5.57103
221 3KB6 NAD 5.68862
222 4YSX FAD 5.76923
223 4EIP FAD 5.82878
224 4EIP K2C 5.82878
225 3FHI ANP 5.84416
226 5TCI 79V 5.85366
227 4I5I NAD 5.92335
228 1USR SIA WIA 5.94714
229 2VYN NAD 5.98802
230 6GNC FAD 6.12245
231 4NG2 OHN 6.19469
232 1DQN IMU 6.52174
233 5KXE 6Y2 6.58436
234 5JJR SAH 6.59794
235 3AIA SAM 6.63507
236 3HLF SIM 6.71296
237 1ME8 RVP 6.80412
238 1KRR ACO 6.89655
239 6AIN FAD 6.9378
240 1VGR COA 7.02576
241 3ABI NAD 7.12329
242 4POW OP1 7.16981
243 3ZLB ANP 7.28643
244 3OTI TYD 7.28643
245 5DI3 GNP 7.56757
246 3ICS FAD 7.62887
247 5MPT SAH 7.72947
248 3MMH SME 7.78443
249 1J5P NAD 7.90514
250 4XVX P33 FDA 7.96915
251 4LY9 S6P 8.04124
252 4LY9 1YY 8.04124
253 5J5R IMP 8.04124
254 5J5R 6G1 8.04124
255 5JIC N7E 8.05861
256 1G0N NDP 8.12721
257 5NMX FAD 8.23529
258 5NMX NAP 8.23529
259 2R5T ANP 8.31099
260 6BVJ GNP 8.38323
261 5YAP NAI 8.42105
262 5YAP 8S0 8.42105
263 1GZ6 NAI 8.46395
264 2DC1 NAD 8.47458
265 4FBL SPD 8.54093
266 5LOG SAH 8.58369
267 1HSK FAD 8.58896
268 5KMS FAD 8.64198
269 5KMS NAD 8.64198
270 6C0T EE4 8.64553
271 6FA4 GNP 8.67052
272 3GMB FAD 8.6747
273 1RP0 AHZ 8.80282
274 4EMI FAD 8.86598
275 3Q9T FAY 8.86598
276 4TUO SIA GAL SIA GLC NGA 8.8785
277 5ODQ 9SB 9.0301
278 5O3Q CMP 9.16667
279 6BCA GSP 9.18919
280 1LFD GNP 9.1954
281 2JBH 5GP 9.33333
282 1BZY IMU 9.67742
283 3PVW QRX 9.69072
284 5AYV NAP 9.70874
285 1D4O NAP 9.78261
286 5E50 ALA TYR ASP GLU SEP TPO ASP GLU GLU 9.90991
287 3O3R NAP 10.1266
288 5K0A FAD 10.303
289 5ZZ6 NAD 10.5769
290 1KYQ NAD 10.5839
291 5A0R ACE GLU VAL ASN PRO 10.6061
292 5ZZA ATP 10.7438
293 4PL8 ATP 10.9589
294 2GJ8 ALF GDP 11.6279
295 4CBX ATP 11.811
296 1BXG NAD 12.0787
297 6GNA FAD 12.1528
298 2PBD ATP 13.9535
299 2F5Z FAD 14.0625
300 1I3U RR1 14.1732
301 5HXI FAD 15.8311
302 5HXI 5HN 15.8311
303 2DYS TGL 16.3265
304 2DYR TGL 16.3265
305 5Z84 TGL 16.3265
306 1W85 TDP 18.3673
307 1DJL NAP 18.8406
308 4GNI ATP 21.0269
309 5EIB GTP 26.087
310 3VXE DPN PRO ARG 29.4118
311 1UAD GNP 32.3232
Pocket No.: 2; Query (leader) PDB : 2GJP; Ligand: GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2gjp.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2GJP; Ligand: BGC GLC DAF GLC GLC GLC DAF; Similar sites found with APoc: 43
This union binding pocket(no: 3) in the query (biounit: 2gjp.bio1) has 57 residues
No: Leader PDB Ligand Sequence Similarity
1 4WBD ADP 1.64948
2 2GDV BGC 1.85567
3 2WW2 SWA 2.26804
4 5CGM MAL 2.47423
5 3W9F I3P 2.8866
6 4S3R 7SA 4.12371
7 2FHF GLC GLC GLC GLC 4.74227
8 5NC9 8SZ 4.8583
9 4YFY 0FX 5.11811
10 1VB9 GLC GLC GLC GLC GLC GLC 6.18557
11 3UER BTU 6.39175
12 3UER TUR 6.39175
13 6BS6 GLC GLC GLC GLC GLC GLC GLC 7.2165
14 6BS6 GLC GLC GLC GLC 7.2165
15 3GBE NOJ 7.42268
16 5WCZ NOJ 7.62887
17 3CZG GLC 7.62887
18 2ZID GLC GLC GLC 7.83505
19 3AXI GLC 8.24742
20 4TVD BGC 8.65979
21 1ESW ACR 9.48454
22 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 9.83607
23 3KLL MAL 9.91338
24 5JBE GLC GLC GLC GLC GLC 11.134
25 1JDC GLC GLC GLC GLC 13.2867
26 5BRP PNG 14.6127
27 6A0J GLC GLC GLC GLC 15.7113
28 3EDF CE6 15.8763
29 3EDF ACX 15.8763
30 5DO8 BGC 17.1134
31 4HPH SUC 17.1134
32 8CGT TM6 17.1134
33 2PWG CTS 17.3196
34 5ZCE MTT 17.732
35 1J0I GLC GLC GLC 18.3505
36 2B7N NTM 18.6813
37 3WY2 BGC 19.5876
38 3VM7 GLC 24.9485
39 2CXG GLC G6D ACI GLC 33.4021
40 1LWJ ACG 34.4671
41 1QHO ABD 40
42 1UKQ GLC ACI G6D GLC 40
43 3BMW GLC GLC G6D ACI GLC GLC GLC 40.8247
Pocket No.: 4; Query (leader) PDB : 2GJP; Ligand: GLC; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 2gjp.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 3FJO FMN 1.85567
2 4HEQ FMN 4.10959
3 5TC4 NAD 6.96203
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