Receptor
PDB id Resolution Class Description Source Keywords
6A0K 1.94 Å EC: 3.-.-.- CYCLIC ALPHA-MALTOSYL-(1-->6)-MALTOSE HYDROLASE FROM ARTHROB GLOBIFORMIS, COMPLEX WITH PANOSE ARTHROBACTER GLOBIFORMIS HYDROLASE
Ref.: STRUCTURAL FEATURES OF A BACTERIAL CYCLIC ALPHA-MALTOSYL-(1→6)-MALTOSE (CMM) HYDROLASE FOR CMM RECOGNITION AND HYDROLYSIS. J. BIOL. CHEM. V. 293 16874 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC C:1;
E:1;
Valid;
Valid;
none;
none;
submit data
488.439 n/a O(CC1...
CA B:507;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
BGC GLC GLC D:1;
F:1;
Valid;
Valid;
none;
none;
submit data
504.438 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6A0J 1.6 Å EC: 3.-.-.- CYCLIC ALPHA-MALTOSYL-(1-->6)-MALTOSE HYDROLASE FROM ARTHROB GLOBIFORMIS, COMPLEX WITH CYCLIC ALPHA-MALTOSYL-(1-->6)-MAL ARTHROBACTER GLOBIFORMIS HYDROLASE
Ref.: STRUCTURAL FEATURES OF A BACTERIAL CYCLIC ALPHA-MALTOSYL-(1→6)-MALTOSE (CMM) HYDROLASE FOR CMM RECOGNITION AND HYDROLYSIS. J. BIOL. CHEM. V. 293 16874 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 6A0L - GLC GLC n/a n/a
2 6A0J - GLC GLC GLC GLC n/a n/a
3 6A0K - BGC 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 261 families.
1 6A0L - GLC GLC n/a n/a
2 6A0J - GLC GLC GLC GLC n/a n/a
3 6A0K - BGC 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 214 families.
1 6A0L - GLC GLC n/a n/a
2 6A0J - GLC GLC GLC GLC n/a n/a
3 6A0K - BGC GLC GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC GLC; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC 1 1
2 BGC BGC GLC BGC XYS BGC XYS XYS 0.690141 0.972222
3 MAN BMA BMA 0.65625 1
4 BGC GLC GLC 0.651515 0.942857
5 BGC BGC BGC XYS XYS GAL 0.6375 0.972222
6 GLC GLC GLC GLC GLC 0.614286 0.942857
7 BGC GLC GLC GLC 0.614286 0.942857
8 MAN MAN BMA 0.602941 1
9 BGC BGC BGC BGC 0.597222 0.942857
10 BMA MAN MAN 0.573529 0.942857
11 BGC BGC XYS XYS GAL 0.573171 0.944444
12 BGC BGC BGC XYS XYS GAL GAL 0.573171 0.944444
13 BGC GLC GLC GLC GLC GLC 0.571429 0.942857
14 BGC GLC GLC GLC GLC 0.571429 0.942857
15 BGC BGC XYS GAL 0.552632 0.944444
16 GLC GLC XYS XYS 0.547945 0.916667
17 BGC BGC XYS BGC XYS XYS GAL 0.546512 0.944444
18 BGC BGC BGC XYS 0.538462 0.944444
19 BGC BGC BGC XYS BGC XYS XYS 0.5375 0.944444
20 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.534091 0.944444
21 BGC BGC BGC XYS BGC XYS XYS GAL 0.534091 0.944444
22 MMA MAN 0.53125 0.891892
23 BMA BMA BMA BMA GLA 0.52 0.942857
24 GLC AGL 0.514706 0.755556
25 MMA MAN MAN 0.513889 0.891892
26 BGC BGC BGC XYS BGC XYS 0.506173 0.944444
27 BGC BGC BGC BGC BGC XYS 0.493976 0.944444
28 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.493976 0.944444
29 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.493976 0.944444
30 BGC BGC BGC XYS BGC XYS GAL 0.488636 0.944444
31 AHR AHR AHR AHR AHR 0.484375 0.810811
32 AHR AHR AHR AHR 0.484375 0.810811
33 AHR AHR AHR AHR AHR AHR 0.484375 0.810811
34 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.480519 0.942857
35 MAN MAN MAN MAN MAN MAN MAN 0.47619 0.942857
36 H1M MAN MAN 0.474359 0.871795
37 NBG BGC BGC XYS BGC XYS XYS 0.47191 0.708333
38 BMA MAN MAN MAN 0.4625 0.868421
39 MAN MAN MAN 0.4625 0.916667
40 1GN ACY GAL 1GN BGC ACY GAL BGC 0.461538 0.66
41 AHR AHR 0.460317 0.810811
42 G2F BGC BGC BGC BGC BGC 0.453333 0.871795
43 NAG BMA 0.453333 0.693878
44 NAG GAL BGC GAL 0.440476 0.702128
45 BMA MAN MAN MAN MAN 0.440476 0.891892
46 BMA NGT MAN MAN 0.43956 0.634615
47 BMA BMA BMA BMA GLA BMA GLA 0.436782 0.868421
48 GLC EDO GLC 0.43662 0.944444
49 FRU GLC GLA 0.435897 0.846154
50 NAG NAG BMA MAN MAN MAN MAN 0.433962 0.673077
51 NAG NAG MAN MAN MAN 0.431579 0.66
52 NOJ BGC 0.430556 0.73913
53 Z9N GLC 0.430556 0.846154
54 GLC FRU GLA GLA GLA 0.43038 0.846154
55 GLC FRU GLA GLA 0.43038 0.846154
56 QPU 0.426829 0.772727
57 IFM MAN 0.424658 0.717391
58 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.418367 0.702128
59 BGC GLA GAL 0.41791 0.942857
60 NGB 0.414634 0.6
61 GAL GLA 0.411765 0.942857
62 NOJ GLC 0.410959 0.73913
63 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.408451 0.942857
64 MAN BMA BMA BMA BMA BMA BMA 0.408451 0.942857
65 GLC GLC GLC GLC BGC GLC GLC 0.408451 0.942857
66 GLO BGC BGC XYS BGC XYS XYS 0.408163 0.918919
67 LSE 0.407407 0.66
68 BQZ 0.40625 0.857143
69 MAN MAN 0.405797 0.942857
70 GLC FRU GLA 0.404762 0.846154
71 BGC BGC BGC BGC BGC BGC 0.402778 0.942857
72 GLC BGC BGC BGC 0.402778 0.942857
73 BGC BGC BGC 0.402778 0.942857
74 BGC BGC BGC BGC BGC 0.402778 0.942857
75 BGC BGC BGC BGC BGC BGC BGC 0.402778 0.942857
76 5QP 0.402778 0.942857
77 NAG BMA MAN MAN MAN MAN 0.4 0.702128
78 MGL GAL 0.4 0.891892
79 RZM 0.4 0.695652
80 GPM GLC 0.4 0.733333
81 BGC GAL GLA 0.4 0.942857
Ligand no: 2; Ligand: BGC GLC GLC; Similar ligands found: 137
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GLC GLC 1 1
2 GLC GLC GLC GLC GLC 0.929825 1
3 BGC GLC GLC GLC 0.929825 1
4 BMA BMA BMA BMA GLA 0.761905 1
5 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.707692 1
6 BGC GLC GLC GLC GLC 0.684211 1
7 BGC GLC GLC GLC GLC GLC 0.684211 1
8 MAN BMA BMA BMA BMA BMA BMA 0.672414 1
9 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.672414 1
10 GLC GLC GLC GLC BGC GLC GLC 0.672414 1
11 GLC GLC GLC 0.651515 0.942857
12 BGC BGC BGC XYS 0.647887 0.942857
13 BMA MAN MAN 0.625 1
14 BGC BGC BGC BGC 0.623188 1
15 BGC BGC BGC XYS BGC XYS XYS 0.621622 0.942857
16 BGC GAL GLA 0.619048 1
17 BGC BGC BGC XYS XYS GAL GAL 0.615385 0.942857
18 BGC BGC BGC XYS BGC XYS 0.586667 0.942857
19 AHR AHR AHR AHR 0.586207 0.857143
20 AHR AHR AHR AHR AHR AHR 0.586207 0.857143
21 AHR AHR AHR AHR AHR 0.586207 0.857143
22 BGC BGC BGC BGC BGC BGC BGC BGC 0.58209 1
23 BGC BGC BGC XYS BGC XYS XYS GAL 0.571429 0.942857
24 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.571429 0.942857
25 BGC BGC BGC BGC BGC XYS 0.571429 0.942857
26 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.571429 0.942857
27 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.571429 0.942857
28 AHR AHR 0.561404 0.857143
29 MMA MAN 0.557377 0.942857
30 BGC BGC XYS XYS GAL 0.555556 0.942857
31 GLC GLC FRU 0.554054 0.868421
32 GLC GLC XYS XYS 0.549296 0.914286
33 MMA MAN MAN 0.536232 0.942857
34 BGC BGC XYS GAL 0.533333 0.942857
35 MAN MAN MAN MAN MAN MAN MAN 0.531646 1
36 BGC BGC XYS BGC XYS XYS GAL 0.529412 0.942857
37 BGC GAL NAG NAG GAL GAL 0.528736 0.6875
38 BGC BGC BGC XYS BGC XYS GAL 0.52381 0.942857
39 MAN MAN BMA 0.514286 0.942857
40 NAG GAL BGC GAL 0.512821 0.733333
41 BGC GLA GAL 0.508197 1
42 MAN MAN MAN 0.5 0.970588
43 GLC GAL BGC FUC 0.5 0.970588
44 BGC GAL NGA GAL 0.5 0.733333
45 BGC GAL FUC 0.5 0.970588
46 GLC EDO GLC 0.5 0.942857
47 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.494505 0.733333
48 NAG NAG MAN MAN MAN 0.494382 0.6875
49 H1M MAN MAN 0.493333 0.868421
50 BMA BMA BMA BMA 0.492958 0.941176
51 G2F SHG BGC BGC 0.492754 0.891892
52 BMA BMA BMA BMA GLA BMA GLA 0.487805 0.916667
53 BGC GAL NAG GAL 0.4875 0.733333
54 BGC GAL FUC GLA 0.487179 0.970588
55 BGC GAL NGA 0.486842 0.733333
56 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.485714 0.970588
57 GLC GLC AC1 0.485714 0.744186
58 BGC Z9D 0.484848 0.970588
59 MGL GAL 0.484375 0.942857
60 GPM GLC 0.478261 0.767442
61 1GN ACY GAL 1GN BGC ACY GAL BGC 0.477273 0.6875
62 BMA MAN MAN MAN MAN 0.475 0.942857
63 FRU GLC GLA 0.472973 0.891892
64 BGC 5VQ GAL GLA 0.471429 0.891892
65 BMA NGT MAN MAN 0.471264 0.66
66 FUC GAL 0.469697 0.941176
67 GLC FRU GLA GLA GLA 0.466667 0.891892
68 GLC FRU GLA GLA 0.466667 0.891892
69 MAN BMA MAN MAN MAN MAN MAN 0.465116 0.942857
70 BGC SGA 0.464789 0.66
71 BGC GLC AGL GLC GLC GLC 0.464286 0.717391
72 BGC GAL GLA NGA GAL 0.464286 0.733333
73 BGC XGP 0.463768 0.785714
74 BGC BGC GLC BGC XYS BGC XYS XYS 0.4625 0.916667
75 BMA MAN MAN MAN 0.461538 0.916667
76 NAG BMA MAN MAN MAN MAN 0.460674 0.733333
77 BGC BGC BGC XYS XYS GAL 0.454545 0.916667
78 GAL GLA 0.453125 1
79 GLC NBU GAL GLA 0.452055 0.846154
80 MAN BMA BMA 0.450704 0.942857
81 NAG GAL 0.450704 0.733333
82 NDG BMA MAN MAN NAG MAN MAN 0.45 0.6875
83 6SA 0.45 0.733333
84 BQZ 0.45 0.909091
85 Z9N GLC 0.449275 0.842105
86 GLC BGC G6D ACI 0.448276 0.733333
87 BGC GAL NAG 0.444444 0.733333
88 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.442105 0.733333
89 UMQ 0.44 0.785714
90 LMU 0.44 0.785714
91 LMT 0.44 0.785714
92 DMU 0.44 0.785714
93 GLC FRU GLA 0.4375 0.891892
94 BGC GAL GLA NGA 0.435294 0.733333
95 GLC GLC AGL HMC 0.434783 0.717391
96 GAL SO4 GAL 0.432432 0.66
97 G2F BGC BGC BGC BGC BGC 0.432432 0.868421
98 NGB 0.43038 0.622642
99 GLC GAL EMB GAL MEC 0.430108 0.622642
100 GLC GLC GLC G6D ACI GLC GLC 0.428571 0.733333
101 GLC GLC G6D ACI 0.428571 0.702128
102 BGC GLC AC1 0.427083 0.702128
103 GAL NAG 0.426667 0.733333
104 LSE 0.423077 0.6875
105 6UZ 0.423077 0.846154
106 NBG BGC BGC XYS BGC XYS XYS 0.422222 0.702128
107 BGC BGC BGC BGC BGC BGC BGC 0.42029 1
108 GLC BGC BGC BGC 0.42029 1
109 BGC BGC BGC BGC BGC 0.42029 1
110 BGC BGC BGC 0.42029 1
111 BGC BGC BGC BGC BGC BGC 0.42029 1
112 NDG GLA GLC NAG GLC RAM 0.417476 0.673469
113 MBG GLA 0.415385 0.942857
114 BGC FUC GAL 0.413333 0.970588
115 GLC BGC FUC GAL 0.413333 0.970588
116 GLC G6P 0.411765 0.785714
117 AAO 0.410526 0.733333
118 GLC GLC AC1 GLC GLC GLC 0.410526 0.702128
119 GLC GLC AGL HMC GLC 0.410526 0.702128
120 GLC GLC G6D GLC ACI GLC 0.410526 0.702128
121 ARE 0.410526 0.733333
122 BGC GAL SIA 0.41 0.647059
123 FRU BGC BGC BGC 0.407895 0.868421
124 NAG BMA MAN MAN MAN MAN MAN 0.406977 0.868421
125 NAG NAG BMA MAN MAN MAN MAN 0.40566 0.634615
126 YZ0 MAN MAN NAG MAN 0.404255 0.702128
127 NAG BMA MAN MAN NAG GAL NAG GAL 0.40404 0.673469
128 BGC OXZ BGC 0.402597 0.6875
129 G2I 0.402597 0.767442
130 G3I 0.402597 0.767442
131 DGD 0.402174 0.733333
132 A2G GAL NAG 0.4 0.6875
133 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.4 0.6875
134 NAG GAL GAL 0.4 0.733333
135 10M 0.4 0.733333
136 MAN IPD MAN 0.4 0.785714
137 GLC U8V 0.4 0.916667
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC; Similar ligands found: 10
No: Ligand Similarity coefficient
1 LAG 0.9370
2 XYP GLC GLC 0.9331
3 GLC DAF 0.9325
4 GLC AC1 0.9214
5 XYS GLC GLC 0.9182
6 LM2 0.9162
7 SOR GLC GLC 0.8879
8 BMA BMA BMA 0.8877
9 GLC BGC BGC 0.8707
10 GAL GAL GAL 0.8638
Ligand no: 2; Ligand: BGC GLC GLC; Similar ligands found: 6
No: Ligand Similarity coefficient
1 LAG 0.9672
2 LM2 0.9513
3 GLC DAF 0.9291
4 XYP GLC GLC 0.9248
5 QPU 0.9190
6 GAL GAL GAL 0.8613
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6A0J; Ligand: GLC GLC GLC GLC; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 6a0j.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1UH4 GLC GLC GLC 45.8599
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