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Receptor
PDB id Resolution Class Description Source Keywords
1SZ2 2.2 Å EC: 2.7.1.2 CRYSTAL STRUCTURE OF E. COLI GLUCOKINASE IN COMPLEX WITH GLUCOSE ESCHERICHIA COLI GLUCOKINASE ATP-DEPENDENT GLUCOSE BINDING TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF ESCHERICHIA COLI ATP-DEPENDENT GLUCOKINASE AND ITS COMPLEX WITH GLUCOSE J.BACTERIOL. V. 186 6915 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC A:1001;
B:2001;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SZ2 2.2 Å EC: 2.7.1.2 CRYSTAL STRUCTURE OF E. COLI GLUCOKINASE IN COMPLEX WITH GLUCOSE ESCHERICHIA COLI GLUCOKINASE ATP-DEPENDENT GLUCOSE BINDING TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF ESCHERICHIA COLI ATP-DEPENDENT GLUCOKINASE AND ITS COMPLEX WITH GLUCOSE J.BACTERIOL. V. 186 6915 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1SZ2 - 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 4 families.
1 1SZ2 - 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 3 families.
1 1SZ2 - 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 : 1SZ2; Ligand: BGC; Similar sites found with APoc: 81
This union binding pocket(no: 1) in the query (biounit: 1sz2.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4UP4 GAL NAG 1.20482
2 4DPL NAP 1.50602
3 2GCE RFC 1.80723
4 3FPZ AHZ 1.84049
5 1BC5 SAH 1.85874
6 3B1F NAD 2.10843
7 1YS4 NAP 2.10843
8 2Q7V FAD 2.15385
9 1XDY MTE 2.34899
10 4M52 FAD 2.40964
11 2A8X FAD 2.40964
12 2J07 FAD 2.40964
13 2J07 HDF 2.40964
14 4M52 M52 2.40964
15 4ZGS NAD 2.40964
16 1Z82 NDP 2.40964
17 1FEC FAD 2.40964
18 1BZL FAD 2.40964
19 4CZG QH3 2.40964
20 2DXU BT5 2.55319
21 5AOV NAP 2.71084
22 3ZXR IQ1 2.71084
23 3ZXR P3S 2.71084
24 4RJK TPP 2.8021
25 5N6C NAD 3
26 1ZH8 NAP 3.01205
27 5USZ SKE 3.11419
28 4OM8 NAD 3.23625
29 3O8M BGC 3.31325
30 3O8M GLC 3.31325
31 4QS9 BGC 3.31325
32 2UXI G50 3.31325
33 5UY8 AMZ 3.31325
34 5NA1 FAD 3.31325
35 5XNC MTA 3.50404
36 2Q0L FAD 3.53698
37 6BII NAP 3.61446
38 2I3G NAP 3.61446
39 2D1S SLU 3.61446
40 1UI0 URA 3.90244
41 2F5Z FAD 3.91566
42 1CZA GLC 4.21687
43 2DBZ NAP 4.49102
44 5T9F NAP 4.51807
45 5LI1 ANP 4.51807
46 3KB6 NAD 4.51807
47 1NV8 SAM 4.57746
48 1NV8 MEQ 4.57746
49 1I0S NAP 4.73373
50 1I0S FMN 4.73373
51 5CAE SIN 4.81928
52 3LM9 FRU 4.96689
53 3N1S 5GP 5.04202
54 2O4C NAD 5.12048
55 1J49 NAD 5.12048
56 5F7R GLC GLC 5.72289
57 4JKV 1KS 5.72289
58 4E5N NAD 5.75758
59 5B4T 3HR 5.76923
60 5B4T NAD 5.76923
61 5TCI MLI 5.7971
62 2Q2V NAD 5.88235
63 3WYF GTP 5.93607
64 3IES M24 5.98911
65 1WOQ BGC 5.99251
66 2GCG NDP 6.06061
67 3ABI NAD 6.3253
68 2V2V V12 6.64207
69 5GUB NGA GCD 6.92771
70 1HKU NAD 7.53012
71 1FIW PBZ 7.93103
72 1RTF BEN 7.93651
73 6FK3 PPI 8.73494
74 3UYK 0CX 8.73494
75 5DI9 GNP 9.09091
76 3GZ8 APR 9.25926
77 6BOX SAH 9.57096
78 5K0A FAD 9.69697
79 5L13 6ZE 10.241
80 6F7L FAD 13.253
81 5EIN NAP 18.5185
Pocket No.: 2; Query (leader) PDB : 1SZ2; Ligand: BGC; Similar sites found with APoc: 44
This union binding pocket(no: 2) in the query (biounit: 1sz2.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2RDT 2RD 1.80723
2 2RDT FMN 1.80723
3 1TDF FAD 1.89873
4 3OII SAH 1.97628
5 1W3T 3GR 2.10843
6 1WPY BTN 2.12766
7 1BZL GCG 2.40964
8 4CZG ADP 2.40964
9 3GEG NAD 2.42915
10 5OJ7 AR6 2.44755
11 5U8U FAD 3.01205
12 1NW5 SAM 3.1348
13 3ITJ FAD 3.31325
14 1VDC FAD 3.31325
15 2OBF F83 3.80623
16 2OBF SAH 3.80623
17 3CTY FAD 4.38871
18 1BHX R56 4.7619
19 1D6H COA 4.81928
20 2IV2 MGD 5.12048
21 2RAB FAD 6.0241
22 3SUD SUE 6.40394
23 2HSA FMN 6.71642
24 3ZM6 2GN 6.92771
25 1GJC 130 6.92771
26 1V2X SAM 7.2165
27 2OYS FMN 7.85124
28 1UWZ THU 8.08823
29 4YKG FAD 8.73494
30 2A2X NA9 9.65251
31 2ANK N12 9.65251
32 3BIB PSF 10.3448
33 5Y6Q MCN 11.1446
34 2BOI MFU 11.5044
35 3LAD FAD 12.0482
36 1A2C 34H LEU PRJ OAR 19.4444
37 1RIW OSC 19.4444
38 1O0D 163 19.4444
39 1NZQ 162 19.4444
40 2ANM CDO 19.4444
41 2FEQ 34P 19.4444
42 2FES 3SP 19.4444
43 1C4V IH2 19.4444
44 1TMT DPN PRO ARG 44.4444
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