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Receptor
PDB id Resolution Class Description Source Keywords
1QHO 1.7 Å EC: 3.2.1.133 FIVE-DOMAIN ALPHA-AMYLASE FROM BACILLUS STEAROTHERMOPHILUS, MALTOSE/ACARBOSE COMPLEX GEOBACILLUS STEAROTHERMOPHILUS AMYLASE GLYCOSIDE HYDROLASE STARCH DEGRADATION
Ref.: X-RAY STRUCTURE OF NOVAMYL, THE FIVE-DOMAIN "MALTOGENIC" ALPHA-AMYLASE FROM BACILLUS STEAROTHERMOPHILUS: MALTOSE AND ACARBOSE COMPLEXES AT 1.7A RESOLUTION. BIOCHEMISTRY V. 38 8385 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ABD A:1200;
Valid;
none;
submit data
973.875 C36 H63 N O29 C[C@@...
CA A:696;
A:697;
A:698;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MAL A:1201;
A:1202;
Valid;
Valid;
none;
none;
submit data
342.296 C12 H22 O11 C([C@...
SO4 A:1203;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QHO 1.7 Å EC: 3.2.1.133 FIVE-DOMAIN ALPHA-AMYLASE FROM BACILLUS STEAROTHERMOPHILUS, MALTOSE/ACARBOSE COMPLEX GEOBACILLUS STEAROTHERMOPHILUS AMYLASE GLYCOSIDE HYDROLASE STARCH DEGRADATION
Ref.: X-RAY STRUCTURE OF NOVAMYL, THE FIVE-DOMAIN "MALTOGENIC" ALPHA-AMYLASE FROM BACILLUS STEAROTHERMOPHILUS: MALTOSE AND ACARBOSE COMPLEXES AT 1.7A RESOLUTION. BIOCHEMISTRY V. 38 8385 1999
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1QHP - MAL C12 H22 O11 C([C@@H]1[....
2 1QHO - MAL C12 H22 O11 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1QHP - MAL C12 H22 O11 C([C@@H]1[....
2 1QHO - MAL C12 H22 O11 C([C@@H]1[....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I75 - NOJ C6 H13 N O4 C1[C@@H]([....
2 1V3M - GAL C6 H12 O6 C([C@@H]1[....
3 1V3L - GLC ACI GLD GAL n/a n/a
4 1UKT ic50 > 5600 uM ACI GLD GLC GAL n/a n/a
5 1UKQ ic50 = 0.33 uM GLC ACI G6D BGC n/a n/a
6 1DED - QPS C25 H43 N O18 C[C@@H]1[C....
7 1UKS ic50 = 3300 uM GLC ACI GLD GAL n/a n/a
8 1CXH - GLC GLC GLC GLC n/a n/a
9 1CGV - MAL C12 H22 O11 C([C@@H]1[....
10 1EO5 - GLC GLC GLC n/a n/a
11 1DTU - GLC GLC n/a n/a
12 1OT1 - BGC GLC GLC GLC n/a n/a
13 1KCL - GLC C6 H12 O6 C([C@@H]1[....
14 1CXI - MAL C12 H22 O11 C([C@@H]1[....
15 1D3C - GLC GLC n/a n/a
16 1CGY - MAL C12 H22 O11 C([C@@H]1[....
17 1PJ9 - GLC C6 H12 O6 C([C@@H]1[....
18 1EO7 - GLC GLC GLC n/a n/a
19 1CXK - GLC GLC n/a n/a
20 2CXG - GLC G6D ACI GLC n/a n/a
21 1CXE - GLC GLC GLC GLC n/a n/a
22 1KCK - GLC G6D ADH GLC n/a n/a
23 1OT2 - BGC GLC GLC GLC n/a n/a
24 1PEZ - BGC GLC n/a n/a
25 1CDG - MAL C12 H22 O11 C([C@@H]1[....
26 1QHP - MAL C12 H22 O11 C([C@@H]1[....
27 1QHO - MAL C12 H22 O11 C([C@@H]1[....
28 3BMW - GLC GLC G6D ACI GLC GLC GLC n/a n/a
29 5CGT - GLC C6 H12 O6 C([C@@H]1[....
30 9CGT - TM5 C30 H52 O23 S3 C([C@@H]1[....
31 8CGT - TM6 C36 H62 O28 S3 C([C@@H]1[....
32 1CGU - GLC GLC n/a n/a
33 3CGT - BCD C42 H70 O35 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ABD; Similar ligands found: 177
No: Ligand ECFP6 Tc MDL keys Tc
1 ABD 1 1
2 ARE 0.648352 0.854167
3 AAO 0.648352 0.854167
4 GLA GAL GLC 0.637681 0.75
5 CT3 0.637681 0.75
6 BGC GLC GLC GLC 0.637681 0.75
7 BGC BGC BGC BGC BGC BGC 0.637681 0.75
8 MAN BMA BMA BMA BMA BMA 0.637681 0.75
9 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.637681 0.75
10 GLA GAL BGC 0.637681 0.75
11 CEY 0.637681 0.75
12 BGC BGC BGC GLC 0.637681 0.75
13 BGC BGC BGC 0.637681 0.75
14 BGC BGC GLC 0.637681 0.75
15 BMA BMA BMA BMA BMA BMA 0.637681 0.75
16 CTT 0.637681 0.75
17 GLC GLC BGC 0.637681 0.75
18 GLC BGC BGC 0.637681 0.75
19 B4G 0.637681 0.75
20 BGC GLC GLC GLC GLC 0.637681 0.75
21 CE8 0.637681 0.75
22 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.637681 0.75
23 CE6 0.637681 0.75
24 BMA MAN BMA 0.637681 0.75
25 MT7 0.637681 0.75
26 BGC BGC BGC BGC BGC 0.637681 0.75
27 BGC GLC GLC 0.637681 0.75
28 MAN MAN BMA BMA BMA BMA 0.637681 0.75
29 GLC BGC BGC BGC BGC 0.637681 0.75
30 MAN BMA BMA 0.637681 0.75
31 BMA BMA BMA BMA BMA 0.637681 0.75
32 MAN BMA BMA BMA BMA 0.637681 0.75
33 DXI 0.637681 0.75
34 GLC BGC GLC 0.637681 0.75
35 BGC BGC BGC BGC 0.637681 0.75
36 GAL GAL GAL 0.637681 0.75
37 GLC BGC BGC BGC 0.637681 0.75
38 CE5 0.637681 0.75
39 GLC BGC BGC BGC BGC BGC 0.637681 0.75
40 MTT 0.637681 0.75
41 BMA BMA BMA 0.637681 0.75
42 MLR 0.637681 0.75
43 BGC GLC GLC GLC GLC GLC GLC 0.637681 0.75
44 GLC GLC GLC GLC GLC 0.637681 0.75
45 GLC GAL GAL 0.637681 0.75
46 CTR 0.637681 0.75
47 CEX 0.637681 0.75
48 GAC 0.616279 0.891304
49 TXT 0.616279 0.891304
50 QPS 0.595506 0.854167
51 ACR 0.595506 0.854167
52 N9S 0.57971 0.75
53 GAL BGC 0.57971 0.75
54 LAT 0.57971 0.75
55 CBI 0.57971 0.75
56 GLA GLA 0.57971 0.75
57 BMA GAL 0.57971 0.75
58 LBT 0.57971 0.75
59 GLC GAL 0.57971 0.75
60 GLA GAL 0.57971 0.75
61 BGC GAL 0.57971 0.75
62 CBK 0.57971 0.75
63 MAL 0.57971 0.75
64 BGC BMA 0.57971 0.75
65 MAB 0.57971 0.75
66 B2G 0.57971 0.75
67 BMA BMA GLA BMA BMA 0.567901 0.75
68 BGC BGC BGC BGC BGC BGC BGC BGC 0.564103 0.75
69 ACG 0.556701 0.816327
70 3SA 0.539326 0.854167
71 GLC GLC GLC BGC 0.536585 0.75
72 NGA GAL BGC 0.535714 0.977778
73 7SA 0.535354 0.82
74 6SA 0.533333 0.854167
75 GLA GAL GAL 0.512821 0.75
76 GAL NGA GLA BGC GAL 0.51087 0.977778
77 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.505495 0.717391
78 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.505495 0.717391
79 BGC BGC BGC XYS BGC BGC 0.505495 0.717391
80 QV4 0.505155 0.854167
81 GLC GLC G6D ACI GLC GLC GLC 0.505155 0.854167
82 LAT GLA 0.5 0.75
83 BGC GLA GAL FUC 0.5 0.772727
84 NGA GLA GAL BGC 0.5 0.977778
85 BGC GAL FUC 0.493976 0.772727
86 FUC GAL GLC 0.493976 0.772727
87 GLC GAL FUC 0.493976 0.772727
88 LAT FUC 0.493976 0.772727
89 8B7 0.493976 0.772727
90 ABC 0.490385 0.816327
91 BGC BGC BGC XYS GAL 0.48913 0.717391
92 IAB 0.485437 0.854167
93 ACR GLC GLC GLC 0.485149 0.82
94 GLC GLC AGL HMC GLC 0.485149 0.82
95 GLC GLC ACI G6D GLC GLC 0.485149 0.82
96 GLC GLC DAF BGC 0.485149 0.82
97 GLA EGA 0.480519 0.755556
98 LAT NAG GAL 0.473118 0.977778
99 GLC GAL NAG GAL 0.473118 0.977778
100 FUC BGC GAL 0.46988 0.772727
101 BMA BMA BMA BMA 0.46988 0.711111
102 GLA GAL BGC 5VQ 0.469136 0.723404
103 GAL FUC 0.467532 0.75
104 BGC GAL NAG GAL 0.467391 0.977778
105 GAL NAG GAL GLC 0.467391 0.977778
106 GLC ACI G6D BGC 0.463918 0.854167
107 GLC ACI GLD GLC 0.463918 0.854167
108 GLC G6D ADH GLC 0.463918 0.854167
109 GLC G6D ACI GLC 0.463918 0.854167
110 XYT 0.463415 0.611111
111 BGC BGC XYS BGC 0.461538 0.717391
112 MMA MAN 0.460526 0.755556
113 DR5 0.460526 0.755556
114 GAL BGC BGC BGC XYS BGC XYS 0.454545 0.717391
115 BGC BGC BGC XYS BGC XYS GAL 0.454545 0.717391
116 DAF BGC GLC 0.452632 0.854167
117 ACI GLD GLC GAL 0.452632 0.854167
118 DAF GLC GLC 0.452632 0.854167
119 G2F BGC BGC BGC BGC BGC 0.452381 0.673469
120 GLA GAL GLC NBU 0.452381 0.693878
121 NAG GAL BGC 0.445652 0.977778
122 GLC ACI GLD GAL 0.445545 0.82
123 GLC ACI G6D GLC 0.445545 0.82
124 GLA GAL NAG FUC GAL GLC 0.443396 0.956522
125 OXZ BGC BGC 0.44186 0.703704
126 GLC GLC XYP 0.44186 0.75
127 GAL BGC NAG GAL 0.44086 0.977778
128 GAL BGC BGC XYS 0.43956 0.717391
129 MAL EDO 0.4375 0.717391
130 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.436893 0.717391
131 GAL GLC NAG GAL FUC 0.436893 0.956522
132 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.436893 0.717391
133 GLC NAG GAL GAL FUC 0.436893 0.956522
134 GAL BGC BGC BGC XYS XYS 0.436893 0.717391
135 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.436893 0.717391
136 FUC GAL NAG GAL BGC 0.436893 0.956522
137 GLC BGC BGC XYS BGC XYS XYS GAL 0.436893 0.717391
138 A2G GAL BGC FUC 0.435644 0.956522
139 NLC 0.433735 0.977778
140 GAL NDG 0.433735 0.977778
141 NDG GAL 0.433735 0.977778
142 BGC BGC XYS BGC XYS BGC XYS 0.431579 0.717391
143 BGC BGC BGC XYS BGC XYS XYS 0.431579 0.717391
144 GLC BGC BGC XYS BGC XYS XYS 0.431579 0.717391
145 U63 0.43038 0.6875
146 GLC GAL NAG GAL FUC FUC 0.420561 0.93617
147 BGC GAL NAG GAL FUC FUC 0.420561 0.93617
148 ACR GLC GLC GLC GLC 0.42 0.82
149 ACR GLC 0.42 0.82
150 BGC GLC AC1 GLC GLC GLC AC1 0.417476 0.82
151 ACI G6D GLC ACI G6D BGC 0.417476 0.82
152 ACI GLD GLC ACI G6D BGC 0.417476 0.82
153 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.417476 0.82
154 AC1 GLC AC1 BGC 0.417476 0.82
155 DAF GLC DAF GLC GLC 0.417476 0.82
156 8VZ 0.416667 0.897959
157 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.415094 0.769231
158 BGC BGC BGC FRU 0.413793 0.673469
159 SOR GLC GLC GLC 0.411111 0.733333
160 GLO GLC GLC GLC 0.411111 0.733333
161 GLC GAL NAG GAL FUC A2G 0.410714 0.897959
162 A2G GAL NAG FUC GAL GLC 0.410714 0.897959
163 UMQ 0.409091 0.653846
164 G3I 0.409091 0.77551
165 LMT 0.409091 0.653846
166 DMU 0.409091 0.653846
167 G2I 0.409091 0.77551
168 LMU 0.409091 0.653846
169 GAL GAL FUC 0.406977 0.772727
170 GLA GAL FUC 0.406977 0.772727
171 FUC GLA GLA 0.406977 0.772727
172 FUC GAL GLA 0.406977 0.772727
173 GLA GLA FUC 0.406977 0.772727
174 FUC BGC GAL NAG GAL 0.40566 0.956522
175 DAF GLC 0.4 0.854167
176 GLC GLC XYS 0.4 0.733333
177 DAF BGC 0.4 0.854167
Ligand no: 2; 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 : 1QHO; Ligand: ABD; Similar sites found with APoc: 72
This union binding pocket(no: 1) in the query (biounit: 1qho.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 4RP9 ASC 0.860215
2 4S3R 7SA 1.6035
3 3E7S AT2 2.08817
4 4FFG LBS 2.43902
5 3X01 AMP 2.54453
6 2FHF GLC GLC GLC GLC 2.62391
7 5KJW 53C 3.27869
8 1T36 ORN 3.66492
9 5OF1 SAL 3.80952
10 1N4K I3P 3.93701
11 3KLL MAL 4.08163
12 3CXO 3LR 4.09639
13 1MJT ITU 4.32277
14 2GDV BGC 4.36508
15 3FXU TSU 4.91803
16 4JGP PYR 5.06912
17 2VGK REZ 5.11247
18 6G1O GLV 5.14403
19 5OPM DTP 5.23013
20 5CGM MAL 5.24781
21 1GJW MAL 5.33752
22 1Y7P RIP 5.38117
23 1ESW ACR 5.6
24 3LHS SF8 5.74324
25 4U31 MVP 5.85652
26 1SQL GUN 6.16438
27 2G30 ALA ALA PHE 6.20155
28 3UER BTU 6.41221
29 3UER TUR 6.41221
30 3NZ1 3NY 6.89655
31 6BS6 GLC GLC GLC GLC GLC GLC GLC 7.31343
32 6BS6 GLC GLC GLC GLC 7.31343
33 5KWY C3S 8.27068
34 1NME 159 8.69565
35 4MPO AMP 9.80392
36 5WP4 PC 9.97963
37 3WY2 BGC 10.5948
38 4TVD BGC 10.6414
39 3CZG GLC 11.1801
40 1JG9 GLC 13.3758
41 3KIV ACA 13.9241
42 1VC9 ATP 15.0794
43 3AXI GLC 17.4873
44 1UA7 ACI GLD GLC ACI G6D BGC 17.7725
45 5WCZ NOJ 25.0853
46 5ZCE MTT 26.1261
47 2PWG CTS 26.6187
48 2ZID GLC GLC GLC 26.7035
49 5BRP PNG 27.1127
50 4HPH SUC 27.1914
51 5DO8 BGC 27.3874
52 3GBE NOJ 27.7778
53 2D3N GLC GLC GLC GLC 29.0722
54 2D3N GLC 29.0722
55 2D3N GLC GLC GLC GLC GLC GLC 29.0722
56 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 29.1925
57 1VB9 GLC GLC GLC GLC GLC GLC 30.5983
58 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 31.2187
59 1JDC GLC GLC GLC GLC 31.2354
60 1LWJ ACG 31.2925
61 1PIG AGL GLC HMC AGL GLC BGC 32.8629
62 4W93 3L9 33.4677
63 3EDF CE6 34.4426
64 3EDF ACX 34.4426
65 1J0I GLC GLC GLC 35.7143
66 1UH4 GLC GLC GLC 36.5777
67 1G94 DAF GLC DAF GLC GLC 38.3929
68 6A0J GLC GLC GLC GLC 38.8535
69 2GJP BGC GLC DAF GLC GLC GLC DAF 40
70 3VM7 GLC 44.3089
71 5A2B MAL 46.0765
72 4E2O ACI G6D GLC ACI G6D BGC 48.8987
Pocket No.: 2; Query (leader) PDB : 1QHO; Ligand: MAL; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 1qho.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 1Q1R FAD 3.24826
2 4RKK GLC GLC GLC GLC GLC GLC 11.4458
3 4YEF 4CQ 43.8202
Pocket No.: 3; Query (leader) PDB : 1QHO; Ligand: MAL; Similar sites found with APoc: 101
This union binding pocket(no: 3) in the query (biounit: 1qho.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2AMV BIN 1.02041
2 2ZPA ACO 1.49031
3 6FCX SAH 1.78862
4 3NEM AMO 1.82648
5 5H2U 1N1 1.87266
6 5V59 8X1 1.89474
7 1SES AHX 1.90024
8 1GEE NAD 1.91571
9 2XQQ SAC ARG GLY THR GLN THR GLU 2.24719
10 3HXU A5A 2.26757
11 6APV 3L4 2.31481
12 4B2D FBP 2.55474
13 6AA8 NAD 2.64901
14 4MAF ADX 2.72277
15 4P83 U5P 2.74725
16 3TE4 ACO 2.7907
17 4EIL UMP 2.82686
18 5YGF ASP GLN GLY ARG GLY ARG ARG ARG PRO 3.13901
19 3BIY 01K 3.15789
20 1B5E DCM 3.25203
21 1MOQ GLP 3.26087
22 6AR9 3L4 3.30882
23 3ACC 5GP 3.31492
24 1F5V FMN 3.33333
25 1KUV CA5 3.38164
26 4DV8 0LX 3.42205
27 2JBH 5GP 3.55556
28 2PID YSA 3.65169
29 5B6D C5P 3.69231
30 2BZZ AP5 3.7037
31 5VJN IR8 3.74332
32 5VJN ADE 3.74332
33 4RI1 ACO 3.76344
34 5AWQ GLC GLC GLC 3.77049
35 4Z7X 3CX 3.78151
36 3NRR UMP 3.8835
37 3NRR D16 3.8835
38 4ONQ SFG 3.92157
39 4DSG UDP 3.92562
40 1FLM FMN 4.09836
41 1BKJ FMN 4.16667
42 5DEP UD1 4.26357
43 6BA2 7KM 4.40678
44 2PS1 PRP 4.42478
45 2PS1 ORO 4.42478
46 4U03 TLL 4.44965
47 1TLC DGP 4.5283
48 1SYN UMP 4.5283
49 1TSD UMP 4.5283
50 1AXW UMP 4.5283
51 3MBI HSX 4.52962
52 2A9W UMP 4.54545
53 4ISK UMP 4.54545
54 1AIQ UMP 4.54545
55 2KCE D16 4.54545
56 1NCE UMP 4.54545
57 6CDZ UMP 4.56274
58 6CDZ UMC 4.56274
59 3TO7 COA 4.71014
60 1PZM 5GP 4.73934
61 3OZG SSI 4.8
62 4DS0 A2G GAL NAG FUC 4.90798
63 1HGX 5GP 4.91803
64 1DQN IMU 5.21739
65 4H6U ACO 5.5
66 1J3I UMP 5.71429
67 1L1Q 9DA 5.91398
68 4LRJ ANP 5.91716
69 3T1O GDP 6.06061
70 2CNT COA 6.25
71 1P19 IMP 6.33484
72 2FT0 ACO 6.38298
73 1ZPR UMP 6.43939
74 4JLS 3ZE 6.57895
75 1QSM ACO 6.57895
76 1QSR ACO 6.79012
77 2G86 UMP 6.96203
78 3RFV NAI 7.11611
79 4P86 5GP 8.19672
80 3D78 NBB 8.40336
81 1F28 UMP 8.41751
82 4ONC 40B 8.80282
83 5H3A D16 8.83392
84 5H3A UMP 8.83392
85 5UWA 8ND 8.86699
86 2DPM SAM 9.50704
87 4KVX ACO 9.61539
88 5H86 BCO 10.119
89 1QK3 5GP 10.3004
90 4GQY AMP 10.9091
91 3DJV C3P 11.2903
92 2FXV 5GP 13.4021
93 5HDJ FMN 13.6187
94 1BZY IMU 13.8249
95 1QB7 ADE 13.9831
96 5GK9 ACO 14
97 6FCH PRP 14.0449
98 1P4A PCP 15.4386
99 1JG0 UMP 15.9091
100 2AAZ UMP 17.9811
101 1NMB NAG NAG BMA MAN MAN MAN MAN 19.2661
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