Receptor
PDB id Resolution Class Description Source Keywords
1NSS 1.85 Å EC: 5.1.3.3 CRYSTAL STRUCTURE OF GALACTOSE MUTAROTASE FROM LACTOCOCCUS LACTIS MUTANT D243A COMPLEXED WITH GLUCOSE LACTOCOCCUS LACTIS MUTAROTASE EPIMERASE GALACTOSE METABOLISM ISOMERASE
Ref.: THE CATALYTIC MECHANISM OF GALACTOSE MUTAROTASE PROTEIN SCI. V. 12 1051 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC A:1400;
B:2400;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
NA A:1401;
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
1NSZ 1.75 Å EC: 5.1.3.3 CRYSTAL STRUCTURE OF GALACTOSE MUTAROTASE FROM LACTOCOCCUS LACTIS MUTANT H170N COMPLEXED WITH GLUCOSE LACTOCOCCUS LACTIS MUTAROTASE EPIMERASE GALACTOSE METABOLISM ISOMERASE
Ref.: THE CATALYTIC MECHANISM OF GALACTOSE MUTAROTASE PROTEIN SCI. V. 12 1051 2003
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NS4 - BGC C6 H12 O6 C([C@@H]1[....
2 1NS8 - GLA C6 H12 O6 C([C@@H]1[....
3 1MN0 - XYS C5 H10 O5 C1[C@H]([C....
4 1NSS - BGC C6 H12 O6 C([C@@H]1[....
5 1MMY - G6D C6 H12 O5 C[C@@H]1[C....
6 1L7K - GLA C6 H12 O6 C([C@@H]1[....
7 1NS7 - BGC C6 H12 O6 C([C@@H]1[....
8 1NSM - GLA C6 H12 O6 C([C@@H]1[....
9 1MMZ - ARB C5 H10 O5 C1[C@@H]([....
10 1NSZ - GLC C6 H12 O6 C([C@@H]1[....
11 1NSR - BGC C6 H12 O6 C([C@@H]1[....
12 1NSU - GLA C6 H12 O6 C([C@@H]1[....
13 1NS0 - GLA C6 H12 O6 C([C@@H]1[....
14 1NSX - GAL C6 H12 O6 C([C@@H]1[....
15 1MMX - FUC C6 H12 O5 C[C@H]1[C@....
16 1NS2 - GAL C6 H12 O6 C([C@@H]1[....
17 1MMU - BGC C6 H12 O6 C([C@@H]1[....
18 1NSV - BGC C6 H12 O6 C([C@@H]1[....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NS4 - BGC C6 H12 O6 C([C@@H]1[....
2 1NS8 - GLA C6 H12 O6 C([C@@H]1[....
3 1MN0 - XYS C5 H10 O5 C1[C@H]([C....
4 1NSS - BGC C6 H12 O6 C([C@@H]1[....
5 1MMY - G6D C6 H12 O5 C[C@@H]1[C....
6 1L7K - GLA C6 H12 O6 C([C@@H]1[....
7 1NS7 - BGC C6 H12 O6 C([C@@H]1[....
8 1NSM - GLA C6 H12 O6 C([C@@H]1[....
9 1MMZ - ARB C5 H10 O5 C1[C@@H]([....
10 1NSZ - GLC C6 H12 O6 C([C@@H]1[....
11 1NSR - BGC C6 H12 O6 C([C@@H]1[....
12 1NSU - GLA C6 H12 O6 C([C@@H]1[....
13 1NS0 - GLA C6 H12 O6 C([C@@H]1[....
14 1NSX - GAL C6 H12 O6 C([C@@H]1[....
15 1MMX - FUC C6 H12 O5 C[C@H]1[C@....
16 1NS2 - GAL C6 H12 O6 C([C@@H]1[....
17 1MMU - BGC C6 H12 O6 C([C@@H]1[....
18 1NSV - BGC C6 H12 O6 C([C@@H]1[....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NS4 - BGC C6 H12 O6 C([C@@H]1[....
2 1NS8 - GLA C6 H12 O6 C([C@@H]1[....
3 1MN0 - XYS C5 H10 O5 C1[C@H]([C....
4 1NSS - BGC C6 H12 O6 C([C@@H]1[....
5 1MMY - G6D C6 H12 O5 C[C@@H]1[C....
6 1L7K - GLA C6 H12 O6 C([C@@H]1[....
7 1NS7 - BGC C6 H12 O6 C([C@@H]1[....
8 1NSM - GLA C6 H12 O6 C([C@@H]1[....
9 1MMZ - ARB C5 H10 O5 C1[C@@H]([....
10 1NSZ - GLC C6 H12 O6 C([C@@H]1[....
11 1NSR - BGC C6 H12 O6 C([C@@H]1[....
12 1NSU - GLA C6 H12 O6 C([C@@H]1[....
13 1NS0 - GLA C6 H12 O6 C([C@@H]1[....
14 1NSX - GAL C6 H12 O6 C([C@@H]1[....
15 1MMX - FUC C6 H12 O5 C[C@H]1[C@....
16 1NS2 - GAL C6 H12 O6 C([C@@H]1[....
17 1MMU - BGC C6 H12 O6 C([C@@H]1[....
18 1NSV - BGC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NSZ; Ligand: GLC; 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: 1nsz.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1NSZ; Ligand: GLC; Similar sites found: 24
This union binding pocket(no: 2) in the query (biounit: 1nsz.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GQG DCD 0.006823 0.42984 1.72911
2 2XG9 NOJ GLC 0.01045 0.43636 2.01729
3 2FNU PMP UD1 0.04245 0.40498 2.01729
4 5HGR 45D 0.04595 0.40116 2.15385
5 5D48 L96 0.01172 0.42256 2.63158
6 5UI2 EQ3 0.04374 0.40128 3.15457
7 4P8K 38C 0.02126 0.43229 3.17003
8 1QM5 GLC GLC GLC PO4 SGC GLC 0.04647 0.4009 3.17003
9 1VEM GLC GLC 0.01694 0.4196 4.03458
10 4RFR RHN 0.01403 0.40893 4.4335
11 1N5S ADL 0.006102 0.42283 4.46429
12 3UMV FAD 0.03113 0.40208 4.61095
13 5LJB RTL 0.01191 0.41427 5.18518
14 2IFB PLM 0.005009 0.4366 5.34351
15 4ANP 3QI 0.03456 0.4034 5.55556
16 4XBA GMP 0.0108 0.40634 6
17 1OLM VTQ 0.02377 0.40815 6.05187
18 1C1L GAL BGC 0.01296 0.40115 6.56934
19 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 0.04487 0.40172 7.8125
20 1U0A BGC BGC BGC BGC 0.01593 0.40237 9.34579
21 2ADA HPR 0.01024 0.41381 11.8156
22 2CIR BG6 0.001804 0.44737 12.4579
23 1ULE GLA GAL NAG 0.01431 0.40079 19.3333
24 1Z45 GAL 0.00000002854 0.6785 44.0922
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