Receptor
PDB id Resolution Class Description Source Keywords
1WOQ 1.8 Å EC: 2.7.1.63 CRYSTAL STRUCTURE OF INORGANIC POLYPHOSPHATE/ATP-GLUCOMANNOK ARTHROBACTER SP. STRAIN KM AT 1.8 A RESOLUTION ARTHROBACTER SP. POLYPHOSPHATE GLUCOMANNOKINASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF BACTERIAL INORGANIC POLYPHOSPHATE/ATP-GLUCOMANNOKINASE: INSIGHTS INTO K EVOLUTION J.BIOL.CHEM. V. 279 50591 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC A:290;
B:291;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
PO4 A:280;
A:281;
B:282;
B:283;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WOQ 1.8 Å EC: 2.7.1.63 CRYSTAL STRUCTURE OF INORGANIC POLYPHOSPHATE/ATP-GLUCOMANNOK ARTHROBACTER SP. STRAIN KM AT 1.8 A RESOLUTION ARTHROBACTER SP. POLYPHOSPHATE GLUCOMANNOKINASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF BACTERIAL INORGANIC POLYPHOSPHATE/ATP-GLUCOMANNOKINASE: INSIGHTS INTO K EVOLUTION J.BIOL.CHEM. V. 279 50591 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WOQ - BGC C6 H12 O6 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WOQ - BGC C6 H12 O6 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WOQ - 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 : 1WOQ; Ligand: BGC; Similar sites found: 65
This union binding pocket(no: 1) in the query (biounit: 1woq.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LJU IP9 0.01564 0.40239 1.49813
2 1TE2 PGA 0.01016 0.41389 1.76991
3 4MIG G3F 0.03298 0.41732 2.24719
4 5FJN FAD 0.02748 0.4168 2.24719
5 5FJN BE2 0.03057 0.4168 2.24719
6 3B1Q NOS 0.04016 0.40546 2.24719
7 2RGO FAD 0.04164 0.4028 2.24719
8 4ZBY URA 0.02359 0.40295 2.57732
9 2DBZ NAP 0.005116 0.44053 2.62172
10 2ED4 FAD 0.02357 0.40575 2.68456
11 2E5V FAD 0.04837 0.40452 2.99625
12 1PZ1 NAP 0.0271 0.40139 2.99625
13 3EFS BTN 0.01275 0.40676 3.00429
14 5LNE A2G GAL 0.005797 0.42516 3.04878
15 3NTY NAP 0.04198 0.40444 3.37079
16 3NTY 5P3 0.0436 0.40444 3.37079
17 1N4W FAD 0.02716 0.41792 3.74532
18 2HQM FAD 0.03591 0.41063 3.74532
19 4E5N NAD 0.03705 0.4004 3.74532
20 1E6E FAD 0.01861 0.4201 3.90625
21 3WCZ NAP 0.01095 0.42515 4.11985
22 3AYI FAD 0.03032 0.42145 4.11985
23 3AYI HCI 0.03123 0.42145 4.11985
24 5UIU 8CG 0.01659 0.41473 4.11985
25 1FRB ZST 0.03554 0.40915 4.11985
26 3H7U NAP 0.02364 0.40694 4.1791
27 5TCI MLI 0.01623 0.40923 4.49438
28 5AIP 4HP 0.01244 0.40108 4.79452
29 3KB6 NAD 0.01422 0.41683 4.86891
30 3CTY FAD 0.03434 0.4133 4.86891
31 5BRE 4UZ 0.0000002205 0.43381 5.24345
32 4J56 FAD 0.03868 0.41054 5.26316
33 5G5G MCN 0.004682 0.45108 5.61798
34 1SZ2 BGC 0.00000004395 0.6216 5.99251
35 4QS9 BGC 0.000002357 0.57929 5.99251
36 1CZA GLC 0.000005857 0.54302 5.99251
37 1JV1 UD1 0.0242 0.40763 5.99251
38 5L4S NAP 0.03691 0.40555 7.11611
39 5L4S 6KX 0.03691 0.40555 7.11611
40 3H9E NAD 0.02607 0.40223 7.11611
41 1D4D FAD 0.02356 0.4212 7.49064
42 1LQA NDP 0.01858 0.41805 7.49064
43 2CH5 NAG 0.005305 0.40711 7.49064
44 2CH5 NDG 0.006026 0.40443 7.49064
45 3CIF NAD 0.02675 0.40421 7.86517
46 3CIF G3H 0.03477 0.4029 7.86517
47 1UI0 URA 0.01424 0.40763 8.78049
48 4M52 FAD 0.04539 0.40519 9.73783
49 2D1S SLU 0.02913 0.40351 9.73783
50 4GUS FAD 0.04098 0.40919 10.4839
51 3BXF 13P 0.009436 0.41117 10.9804
52 1QO8 FAD 0.02938 0.41526 11.985
53 3O8M BGC 0.000007847 0.54605 12.3596
54 3O8M GLC 0.000007847 0.54605 12.3596
55 1WD4 AHR 0.01147 0.40272 12.7341
56 1VQW FAD 0.007497 0.43716 13.1086
57 2GVC FAD 0.01232 0.42612 13.1086
58 2VVM FAD 0.04176 0.40543 13.1086
59 4DHY GLC 0.0000231 0.56016 13.8577
60 4ZGS NAD 0.02495 0.40047 15.544
61 3BPX SAL 0.01368 0.40136 16.2162
62 5F7R GLC GLC 0.0000002144 0.63996 20.5993
63 3LM9 FRU 0.000004935 0.45179 26.9663
64 2YHW BM3 0.0000001918 0.66506 35.206
65 3VGL BGC 0.00000000000923 0.8005 48.6891
Pocket No.: 2; Query (leader) PDB : 1WOQ; Ligand: BGC; Similar sites found: 4
This union binding pocket(no: 2) in the query (biounit: 1woq.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DQ2 BTX 0.01627 0.41516 1.87266
2 1ZVW PRP 0.0175 0.40008 4.49438
3 4MZU COA 0.01793 0.40615 6.36704
4 4ZA2 NAD 0.015 0.41695 7.49064
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