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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: 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WOQ; Ligand: BGC; Similar sites found with APoc: 145
This union binding pocket(no: 1) in the query (biounit: 1woq.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3LF0 ATP None
2 2JDU MFU None
3 3LJU IP9 1.49813
4 3LL5 ADP 1.60643
5 3LL5 IPE 1.60643
6 6BYF CIT 1.76471
7 1TE2 PGA 1.76991
8 5T79 NDP 1.87266
9 2BOI MFU 1.87266
10 6F5W KG1 2.24719
11 4MIG G3F 2.24719
12 5FJN BE2 2.24719
13 5FJN FAD 2.24719
14 3O3R NAP 2.24719
15 3AB1 FAD 2.24719
16 3B1Q NOS 2.24719
17 2RGO FAD 2.24719
18 2DBZ NAP 2.62172
19 5GUD 2IT 2.62172
20 5GUD NDP 2.62172
21 5OC1 FAD 2.62172
22 1HYH NAD 2.62172
23 2ED4 FAD 2.68456
24 5GSN FAD 2.99625
25 2E5V FAD 2.99625
26 4TVD BGC 2.99625
27 1PZ1 NAP 2.99625
28 3EFS BTN 3.00429
29 5LNE A2G GAL 3.04878
30 2CDU FAD 3.09735
31 1GPE FAD 3.37079
32 3NTY 5P3 3.37079
33 3NTY NAP 3.37079
34 4Z87 5GP 3.37079
35 1M2K APR 3.61446
36 4REP FAD 3.63636
37 6F97 FAD 3.74532
38 2HQM FAD 3.74532
39 1H74 ADP 3.74532
40 5VN0 FAD 3.74532
41 5HSA FAS 3.74532
42 2JB2 FAD 3.74532
43 1DSS NAD 3.74532
44 4E5N NAD 3.74532
45 1E6E FAD 3.90625
46 3WCZ NAP 4.11985
47 3AYI FAD 4.11985
48 3AYI HCI 4.11985
49 4RKK GLC GLC GLC GLC GLC GLC 4.11985
50 5UIU 8CG 4.11985
51 4IJR NDP 4.11985
52 3H7R NAP 4.11985
53 3H7U NAP 4.1791
54 6CUZ FEV 4.49438
55 6AMI TRP 4.49438
56 2AWN ADP 4.49438
57 5TCI MLI 4.49438
58 5L3R GCP 4.49438
59 3NCQ ATP 4.49438
60 5AIP 4HP 4.79452
61 6AM8 PLT 4.79798
62 5Z20 NAI 4.86891
63 3CTY FAD 4.86891
64 3KB6 NAD 4.86891
65 2GCG NDP 4.86891
66 2VWT PYR 4.86891
67 5BRE 4UZ 5.24345
68 1NAA ABL 5.24345
69 1NAA 6FA 5.24345
70 1UKG MMA 5.24345
71 4J56 FAD 5.26316
72 4YSX FAD 5.31915
73 5G5G MCN 5.61798
74 4D7E FAD 5.61798
75 5N6C NAD 5.61798
76 1SZ2 BGC 5.99251
77 4QS9 BGC 5.99251
78 1CZA GLC 5.99251
79 5AOV NAP 5.99251
80 1HKU NAD 5.99251
81 1JV1 UD1 5.99251
82 5XWC 2IT 5.99251
83 5XWC 8GL 5.99251
84 5XWC NAP 5.99251
85 5O0B 9FE 6.17284
86 6BII NAP 6.36704
87 1EXB NDP 6.36704
88 6GAS FAD 6.36704
89 3EAU NDP 6.36704
90 3EAU PDN 6.36704
91 4HNN LYS 6.36704
92 4JTA NAP 6.36704
93 4MZU COA 6.36704
94 4ZOH MCN 6.54762
95 5Z21 NAI 6.74157
96 4Z0H NAD 6.74157
97 5Z2L NDP 6.93878
98 5L4S 6KX 7.11611
99 5L4S NAP 7.11611
100 3H9E NAD 7.11611
101 3V1Y NAD 7.11611
102 1D4D FAD 7.49064
103 5UR0 NAD 7.49064
104 1LQA NDP 7.49064
105 2CH5 NAG 7.49064
106 5I39 FAD 7.49064
107 2CH5 NDG 7.49064
108 5TWB FAD 7.86517
109 3AXB PRO 7.86517
110 3AXB FAD 7.86517
111 3CIF NAD 7.86517
112 3CIF G3H 7.86517
113 2YQS UD1 8.2397
114 3BOF HCS 8.61423
115 1UI0 URA 8.78049
116 1WPY BTN 8.93617
117 5WKC FAD 8.98876
118 1T9D FAD 8.98876
119 2DXU BT5 9.3617
120 4M52 FAD 9.73783
121 2D1S SLU 9.73783
122 4MOP 2H5 10.1124
123 2B4R AES 10.1124
124 4GUS FAD 10.4839
125 3QDK QDK 10.4869
126 3BXF 13P 10.9804
127 2GAG FOA 11.1111
128 1QO8 FAD 11.985
129 3O8M GLC 12.3596
130 3O8M BGC 12.3596
131 4MO2 FDA 12.7341
132 4MO2 FAD 12.7341
133 1WD4 AHR 12.7341
134 1VQW FAD 13.1086
135 2GVC FAD 13.1086
136 2VVL FAD 13.1086
137 2VVM FAD 13.1086
138 4DHY GLC 13.8577
139 4UTG ANP 13.8577
140 4ZGS NAD 15.544
141 1CX9 NHP 15.7303
142 3BPX SAL 16.2162
143 5F7R GLC GLC 20.5993
144 3LM9 FRU 26.9663
145 3VGL BGC 48.6891
Pocket No.: 2; Query (leader) PDB : 1WOQ; Ligand: BGC; Similar sites found with APoc: 22
This union binding pocket(no: 2) in the query (biounit: 1woq.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2V5K OXM 2.24719
2 1GET NAP 2.62172
3 1GET FAD 2.62172
4 2XVF FAD 3.37079
5 5YB7 FAD 3.37079
6 5YB7 ORN 3.37079
7 3LZW FAD 3.74532
8 3BAZ NAP 4.49438
9 1COY FAD 4.49438
10 1GJW GLC 4.49438
11 1ZVW PRP 4.49438
12 1OD3 BGC BGC 4.7619
13 6F3M NAD 4.86891
14 5OJ7 AR6 5.24345
15 4ZCC FAD 5.35714
16 6ER9 FAD 5.99251
17 4ZA2 NAD 7.49064
18 3DDN HPV 7.49064
19 2IVD FAD 7.49064
20 6GMR F4K 10.1695
21 2J9D ADP 11.7647
22 2GV8 FAD 13.1086
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