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Receptor
PDB id Resolution Class Description Source Keywords
4KTP 1.9 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF 2-O-ALPHA-GLUCOSYLGLYCEROL PHOSPHORYLAS COMPLEX WITH GLUCOSE BACILLUS SELENITIREDUCENS (ALPHA/ALPHA)6 BARREL PHOSPHORYLASE TRANSFERASE
Ref.: STRUCTURAL BASIS FOR REVERSIBLE PHOSPHOROLYSIS AND HYDROLYSIS REACTIONS OF 2-O-ALPHA-GLUCOSYLGLYCEROL PHOSPHORYLASE J.BIOL.CHEM. V. 289 18067 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PE A:802;
Invalid;
none;
submit data
238.278 C10 H22 O6 C(COC...
CA B:803;
B:804;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
BGC A:801;
B:801;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
PG4 B:802;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KTP 1.9 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF 2-O-ALPHA-GLUCOSYLGLYCEROL PHOSPHORYLAS COMPLEX WITH GLUCOSE BACILLUS SELENITIREDUCENS (ALPHA/ALPHA)6 BARREL PHOSPHORYLASE TRANSFERASE
Ref.: STRUCTURAL BASIS FOR REVERSIBLE PHOSPHOROLYSIS AND HYDROLYSIS REACTIONS OF 2-O-ALPHA-GLUCOSYLGLYCEROL PHOSPHORYLASE J.BIOL.CHEM. V. 289 18067 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 4KTR - IFM C6 H13 N O3 C1[C@@H]([....
2 4KTP - BGC C6 H12 O6 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 23 families.
1 4KTR - IFM C6 H13 N O3 C1[C@@H]([....
2 4KTP - BGC C6 H12 O6 C([C@@H]1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 3WIR - BGC C6 H12 O6 C([C@@H]1[....
2 4KTR - IFM C6 H13 N O3 C1[C@@H]([....
3 4KTP - 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 : 4KTP; Ligand: BGC; Similar sites found with APoc: 44
This union binding pocket(no: 1) in the query (biounit: 4ktp.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4PIV NDP 1.51515
2 2JF4 VDM 1.68224
3 4WVB GLC 2.14286
4 3UG4 AHR 2.18254
5 6FXR AKG 2.22841
6 3MF2 AMP 2.60116
7 5WS9 ATP 2.73684
8 4AG8 AXI 2.8481
9 1G51 AMO 2.93103
10 6BYM HC3 2.95567
11 5CKS GAL 3.1339
12 1LF9 ACR 3.36257
13 2F6D ACR 3.45528
14 2PO3 T4K 3.77358
15 5YBN AKG 3.82166
16 4GFD 0YB 4.39024
17 4Z28 BTN 4.47761
18 4QYS PLP SEP 4.52489
19 2CI0 1CM 4.83517
20 1GAH ACR 4.88323
21 4HMT FMN 4.88889
22 4HMT NNV 4.88889
23 2OGA PGU 5.01253
24 6A3J SOE 5.36585
25 6A3J NAI 5.36585
26 5U23 TQP 5.49738
27 5ORG 6DB 5.70342
28 3E9I XAH 6.08519
29 4EN4 ATP 6.41026
30 4EN4 GT1 6.41026
31 4EN4 GT0 6.41026
32 5HVA DUP 6.42857
33 5EYK 5U5 6.77966
34 1QW9 KHP 6.97211
35 2NNQ T4B 7.63359
36 2GVV DI9 8.28025
37 1KYZ FER 8.76712
38 3RI1 3RH 9.26518
39 4BJ8 BTN 10.3175
40 1G72 PQQ 11.5942
41 2HFN FMN 11.7647
42 4H2W AMP 16.5049
43 5D48 L96 25.6579
44 3E5A VX6 29.5455
Pocket No.: 2; Query (leader) PDB : 4KTP; Ligand: BGC; Similar sites found with APoc: 48
This union binding pocket(no: 2) in the query (biounit: 4ktp.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6B9P D0J 1.69051
2 1DLJ UGA 1.74129
3 4EDF UPG 1.82186
4 2P53 NNG 1.83246
5 4FL3 ANP 2.04724
6 3D9F FAD 2.28311
7 4CYI ATP 2.51142
8 2ZYJ PGU 2.51889
9 4OTH DRN 2.6393
10 5WKC FAD 2.8065
11 1T9D FAD 2.8065
12 2ZJ1 ARJ 3.23232
13 2ZJ1 NAD 3.23232
14 1UWK URO 3.7702
15 1UWK NAD 3.7702
16 1UU1 PMP HSA 3.8806
17 5GSN FAD 3.97351
18 4F97 VDO 4.02414
19 3VZ3 SSN 4.37637
20 1WN3 HXC 4.41176
21 5GOP SUC 4.55531
22 3TKY N7I 4.8913
23 4UDG NDG 4.89914
24 2CNE DFJ 4.93421
25 2XVF FAD 4.9569
26 3LPF Z77 5.45455
27 5GG9 8GT 5.55556
28 2WLG SOP 5.5814
29 3SSO SAH 5.72792
30 5Z74 SUC 6.34573
31 6HDT BTN 6.76692
32 4K2M O1G 6.77201
33 1C3V NDP 6.93878
34 6GVD FDK 7.13043
35 4ZS4 ATP 7.49186
36 4EWH T77 7.63636
37 1UNB AKG 7.71704
38 3L2B B4P 7.7551
39 4M52 M52 8.3691
40 3PDT ADP 8.72727
41 1UZD CAP 8.95522
42 2B8T THM 8.96861
43 3NUB UD0 9.47075
44 1UZH CAP 9.83607
45 3SXS PP2 11.194
46 3LDQ 3P1 12.2807
47 4H2W 5GP 16.5049
48 3EW2 BTN 17.037
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