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Receptor
PDB id Resolution Class Description Source Keywords
4ZW9 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN GLUT3 BOUND TO D-GLUCOSE IN THE O OCCLUDED CONFORMATION AT 1.5 ANGSTROM HOMO SAPIENS TRANSPORTER TRANSPORT PROTEIN
Ref.: MOLECULAR BASIS OF LIGAND RECOGNITION AND TRANSPORT GLUCOSE TRANSPORTERS NATURE V. 526 391 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLC A:503;
A:501;
A:502;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
356.54 C21 H40 O4 CCCCC...
BGC A:505;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC A:504;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZW9 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN GLUT3 BOUND TO D-GLUCOSE IN THE O OCCLUDED CONFORMATION AT 1.5 ANGSTROM HOMO SAPIENS TRANSPORTER TRANSPORT PROTEIN
Ref.: MOLECULAR BASIS OF LIGAND RECOGNITION AND TRANSPORT GLUCOSE TRANSPORTERS NATURE V. 526 391 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4ZW9 - BGC C6 H12 O6 C([C@@H]1[....
2 4ZWB - MAL C12 H22 O11 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4ZW9 - BGC C6 H12 O6 C([C@@H]1[....
2 4ZWB - MAL C12 H22 O11 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4ZW9 - BGC C6 H12 O6 C([C@@H]1[....
2 4ZWB - MAL C12 H22 O11 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
Ligand no: 2; Ligand: GLC; 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 : 4ZW9; Ligand: GLC; Similar sites found with APoc: 78
This union binding pocket(no: 1) in the query (biounit: 4zw9.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1UO5 PIH None
3 3L4S 3PG 1.19048
4 2QCX PF1 1.52091
5 3KAL HGS 1.60321
6 2CZL TLA 1.83824
7 5HSS 64Z 1.88679
8 1A05 IPM 1.95531
9 4RW3 PLM 1.98676
10 2ZJ1 ARJ 2.0202
11 2ZJ1 NAD 2.0202
12 1PVN MZP 2.12766
13 3VRV YSD 2.21402
14 5U97 PIT 2.3166
15 1YNH SUO 2.40175
16 3RDE OYP 2.50965
17 1Q19 SSC 2.58449
18 2GMH FAD 2.7027
19 2HFK E4H 2.82132
20 5J32 IPM 2.97767
21 4WVO 3UZ 3.02115
22 4UBS DIF 3.05344
23 5YB7 ORN 3.0888
24 5FRE SIA GAL 3.09278
25 3VYK MMA MAN NAG MAN NAG NAG 3.10078
26 5M67 NAD 3.13152
27 5M67 ADE 3.13152
28 1MID LAP 3.2967
29 6CB2 OLC 3.41297
30 1H5R G1P 3.41297
31 5X3R 7Y3 3.41463
32 1R37 NAD 3.45821
33 6MVU K4V 3.4749
34 1N8V BDD 3.57143
35 3BQF SSM 3.60825
36 3RMK BML 3.61446
37 3P9T TCL 3.65297
38 2Y7P SAL 3.66972
39 2CDC XYS 3.82514
40 4WGF HX2 3.90244
41 6A0S NDP 3.91566
42 4MGA 27L 3.92157
43 1RM0 D6P 3.93996
44 1XZ3 ICF 4.02299
45 4OKZ 3E9 4.05405
46 1M5B BN1 4.18251
47 1DKF OLA 4.25532
48 2A9G ARG 4.30622
49 5NM7 GLY 4.51128
50 3O75 F1X 4.77941
51 3SQP 3J8 5.02092
52 6AYI C3G 5.02513
53 4O4K 2PK 5.05952
54 3KFC 61X 5.40541
55 5AZC PGT 5.66667
56 5XJD 87L 5.90909
57 4CCW VKC 6.02007
58 3HP9 CF1 6.22407
59 4MSG 2C6 6.91244
60 2QJY SMA 7.0632
61 4RQL SNE 7.35294
62 5W8E ADE 7.69231
63 4IRX INS 7.77027
64 3KP6 SAL 8.60927
65 1YRO UDP 8.94309
66 4FC7 NAP 9.02527
67 4FC7 COA 9.02527
68 1T0S BML 9.30233
69 4O4Z N2O 9.74026
70 5LX9 OLB 9.85915
71 1L0I PSR 15.3846
72 3G08 FEE 20.202
73 5LWY OLB 23.5294
74 2Y69 CHD 25.6757
75 5Z84 CHD 30.3571
76 5ZCO CHD 30.3571
77 5W97 CHD 30.3571
78 4OGQ UMQ 37.931
Pocket No.: 2; Query (leader) PDB : 4ZW9; Ligand: BGC; Similar sites found with APoc: 78
This union binding pocket(no: 2) in the query (biounit: 4zw9.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1UO5 PIH None
3 3L4S 3PG 1.19048
4 2QCX PF1 1.52091
5 3KAL HGS 1.60321
6 2CZL TLA 1.83824
7 5HSS 64Z 1.88679
8 1A05 IPM 1.95531
9 4RW3 PLM 1.98676
10 2ZJ1 ARJ 2.0202
11 2ZJ1 NAD 2.0202
12 1PVN MZP 2.12766
13 3VRV YSD 2.21402
14 5U97 PIT 2.3166
15 1YNH SUO 2.40175
16 3RDE OYP 2.50965
17 1Q19 SSC 2.58449
18 2GMH FAD 2.7027
19 2HFK E4H 2.82132
20 5J32 IPM 2.97767
21 4WVO 3UZ 3.02115
22 4UBS DIF 3.05344
23 5YB7 ORN 3.0888
24 5FRE SIA GAL 3.09278
25 3VYK MMA MAN NAG MAN NAG NAG 3.10078
26 5M67 NAD 3.13152
27 5M67 ADE 3.13152
28 1MID LAP 3.2967
29 6CB2 OLC 3.41297
30 1H5R G1P 3.41297
31 5X3R 7Y3 3.41463
32 1R37 NAD 3.45821
33 6MVU K4V 3.4749
34 1N8V BDD 3.57143
35 3BQF SSM 3.60825
36 3RMK BML 3.61446
37 3P9T TCL 3.65297
38 2Y7P SAL 3.66972
39 2CDC XYS 3.82514
40 4WGF HX2 3.90244
41 6A0S NDP 3.91566
42 4MGA 27L 3.92157
43 1RM0 D6P 3.93996
44 1XZ3 ICF 4.02299
45 4OKZ 3E9 4.05405
46 1M5B BN1 4.18251
47 1DKF OLA 4.25532
48 2A9G ARG 4.30622
49 5NM7 GLY 4.51128
50 3O75 F1X 4.77941
51 3SQP 3J8 5.02092
52 6AYI C3G 5.02513
53 4O4K 2PK 5.05952
54 3KFC 61X 5.40541
55 5AZC PGT 5.66667
56 5XJD 87L 5.90909
57 4CCW VKC 6.02007
58 3HP9 CF1 6.22407
59 4MSG 2C6 6.91244
60 2QJY SMA 7.0632
61 4RQL SNE 7.35294
62 5W8E ADE 7.69231
63 4IRX INS 7.77027
64 3KP6 SAL 8.60927
65 1YRO UDP 8.94309
66 4FC7 NAP 9.02527
67 4FC7 COA 9.02527
68 1T0S BML 9.30233
69 4O4Z N2O 9.74026
70 5LX9 OLB 9.85915
71 1L0I PSR 15.3846
72 3G08 FEE 20.202
73 5LWY OLB 23.5294
74 2Y69 CHD 25.6757
75 5Z84 CHD 30.3571
76 5ZCO CHD 30.3571
77 5W97 CHD 30.3571
78 4OGQ UMQ 37.931
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