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Receptor
PDB id Resolution Class Description Source Keywords
4RKK 2.4 Å NON-ENZYME: OTHER STRUCTURE OF A PRODUCT BOUND PHOSPHATASE HOMO SAPIENS DUAL SPECIFICITY PHOSPHATASE CARBOHYDRATE BINDING MODULE PHOSPHATASE HYDROLASE
Ref.: STRUCTURAL MECHANISM OF LAFORIN FUNCTION IN GLYCOGE DEPHOSPHORYLATION AND LAFORA DISEASE. MOL.CELL V. 57 261 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC GLC GLC GLC A:411;
C:402;
A:402;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
972.846 n/a OCC1O...
GLC A:417;
C:415;
Invalid;
Invalid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC GLC GLC A:408;
C:408;
Invalid;
Invalid;
none;
none;
submit data
504.438 n/a O(CC1...
GLC GLC GLC GLC C:411;
Invalid;
none;
submit data
648.564 n/a OCC1O...
PO4 C:401;
A:401;
Invalid;
Invalid;
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
4RKK 2.4 Å NON-ENZYME: OTHER STRUCTURE OF A PRODUCT BOUND PHOSPHATASE HOMO SAPIENS DUAL SPECIFICITY PHOSPHATASE CARBOHYDRATE BINDING MODULE PHOSPHATASE HYDROLASE
Ref.: STRUCTURAL MECHANISM OF LAFORIN FUNCTION IN GLYCOGE DEPHOSPHORYLATION AND LAFORA DISEASE. MOL.CELL V. 57 261 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4RKK - GLC GLC GLC GLC GLC GLC n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4RKK - GLC GLC GLC GLC GLC GLC n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4RKK - GLC GLC GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 RCD 1 1
2 BCD 1 1
3 GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC GLC GLC GLC 1 1
5 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
6 ACX 1 1
7 4CQ 0.529412 0.911765
8 GLC GLC GLC GLC 0.510638 0.939394
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RKK; Ligand: GLC GLC GLC GLC GLC GLC; Similar sites found with APoc: 130
This union binding pocket(no: 1) in the query (biounit: 4rkk.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 5CLO NS8 None
3 3KP6 SAL None
4 5HCV 60R 1.16732
5 2A3I C0R 1.18577
6 2WCV FUC 1.42857
7 1EM6 CP4 1.50602
8 5CX6 CDP 1.80723
9 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 1.80723
10 4MGA 27L 1.96078
11 5AAV GW5 1.98413
12 6AYH C3G 1.99005
13 4TV1 36M 1.99203
14 2QE4 JJ3 2.01613
15 3W5N RAM 2.10843
16 4B1X LAB 2.10843
17 5KGS 6SR 2.10843
18 6GSG RCO 2.10843
19 3WCA FPS 2.19178
20 4UDB CV7 2.57353
21 5M37 9SZ 2.6087
22 4B7P 9UN 2.6087
23 5M36 9SZ 2.62009
24 4I90 CHT 2.64026
25 5IM3 DTP 2.71084
26 5WXU FLC 2.71084
27 1XMY ROL 2.71084
28 6CB2 OLC 2.73038
29 4XDA ADP 2.91262
30 2V5E SCR 2.9703
31 6ESN BWE 2.99625
32 2BLE 5GP 3.01205
33 3V1S 0LH 3.10559
34 6A8H AHR AHR AHR 3.11526
35 2Q1H AS4 3.2
36 2CNE DFJ 3.28947
37 2VJ8 HA2 3.31325
38 4H03 LAR 3.31325
39 4H03 ATP 3.31325
40 4J51 N75 3.37423
41 1YKD CMP 3.61446
42 2BO4 FLC 3.61446
43 1I0B PEL 3.61446
44 4ELG 52I 3.61446
45 4ELG 52J 3.61446
46 1T27 PCW 3.69004
47 3D04 SAK 3.77358
48 4UCC ZKW 3.86266
49 2AX9 BHM 3.90625
50 1OHE ACE ALA SEP PRO 3.91566
51 2HZL PYR 3.91566
52 2ZCQ B65 4.09556
53 5MST FUM 4.21687
54 1PA9 CSN 4.22535
55 6AYI C3G 4.52261
56 1XZ3 ICF 4.5977
57 3FJG 3PG 4.78088
58 2AMV BIN 4.81928
59 5H4S RAM 4.92958
60 2WCJ M21 4.96454
61 2A2C ADP 5.02092
62 2A2C NG1 5.02092
63 1R6N 434 5.21327
64 5EEH P9P 5.42169
65 5EEH SAH 5.42169
66 2BHW NEX 5.60345
67 5W7B MYR 5.67376
68 5EHZ 5NZ 5.72289
69 2GBB CIT 5.76923
70 5XK9 DMA 6.03448
71 5XK9 GST 6.03448
72 5WPJ NDP 6.3253
73 1PVS 7HP 6.38298
74 1M2Z BOG 6.61479
75 5MWY YNU 6.88525
76 4M73 SAH 6.92771
77 4M73 M72 6.92771
78 4DJA DLZ 6.92771
79 4DJA FAD 6.92771
80 1NU4 MLA 7.2165
81 5YW5 ADE 7.26257
82 5LX9 OLB 7.49186
83 1U25 IHS 7.53012
84 6BVK EAV 7.83133
85 6BVM EBV 7.83133
86 6BVJ EAS 7.83133
87 6BVI EC4 7.83133
88 6BVL EBY 7.83133
89 4URX FK1 7.83133
90 1U26 IHS 7.83133
91 2IMG MLT 7.94702
92 5OLK DTP 8.43373
93 4O4Z N2O 8.44156
94 1SBR VIB 8.5
95 5UGW GSH 8.57143
96 5WL1 D3D 9.09091
97 4Q0A 4OA 9.27152
98 3F8C HT1 9.52381
99 5C1M OLC 9.6
100 3RUG DB6 9.60265
101 5ECP JAA 9.63855
102 5ECP ATP 9.63855
103 2Y69 CHD 10
104 2BCG GER 10.1942
105 1ZPD CIT 10.241
106 5Z84 CHD 10.8696
107 5W97 CHD 10.8696
108 5ZCO CHD 10.8696
109 2DYS PGV 10.8696
110 2DYR PGV 10.8696
111 5Z84 PGV 10.8696
112 5ZCO PGV 10.8696
113 4A34 FUL 10.8844
114 2D5Z L35 10.9589
115 6H8S FSZ 11.2957
116 1ZED PNP 11.4458
117 5LWY OLB 12.1495
118 4DXJ 0M9 12.6506
119 4OGQ 7PH 13.5135
120 4OGQ 1O2 13.5135
121 2UW1 GVM 13.8554
122 4ZGM 32M 13.9344
123 3N7S 3N7 14.5833
124 3G58 988 17.7711
125 3D78 NBB 18.4874
126 4WOH 4NP 19.2771
127 4PYH GLC GLC GLC GLC GLC GLC 23.1293
128 3F81 STT 26.2295
129 4KYQ FLC 33.6538
130 6BYF CIT 38.8235
Pocket No.: 2; Query (leader) PDB : 4RKK; Ligand: GLC GLC GLC GLC GLC GLC; Similar sites found with APoc: 14
This union binding pocket(no: 2) in the query (biounit: 4rkk.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1J78 OLA 1.74672
2 1YKI NFZ 2.76498
3 1YKI FMN 2.76498
4 1F76 ORO 3.01205
5 4OAR 2S0 3.48837
6 3MDV CL6 4.38596
7 3HW5 AMP 4.5977
8 1XQP 8HG 5.46875
9 5L7G 6QE 6.88525
10 1D1Q 4NP 7.22892
11 4QMN DB8 7.74194
12 1GEG GLC 7.8125
13 5ECP MET 9.63855
14 5WS9 AMP 14.1566
Pocket No.: 3; Query (leader) PDB : 4RKK; Ligand: GLC GLC GLC GLC GLC GLC; Similar sites found with APoc: 38
This union binding pocket(no: 3) in the query (biounit: 4rkk.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2JG1 ANP 1.21212
2 3E70 GDP 1.82927
3 5L3W GDP 1.96078
4 4L80 1VU 2.10843
5 5FJN FAD 2.71084
6 2YG3 FAD 2.71084
7 1UKW FAD 2.71084
8 5LHT TIH 2.72109
9 2BW7 APC 3.19635
10 2VL8 UDP 3.31325
11 2VL8 CTS 3.31325
12 5AB7 MLC 3.31325
13 5L3S GNP 3.3557
14 5O0B 9FE 3.7037
15 3RDE OYP 3.91566
16 2Q28 TPP 4.07801
17 1WOQ BGC 4.11985
18 1O9J NAD 4.21687
19 5I34 GDP 4.21687
20 4D7E FAD 4.21687
21 3OZV FAD 4.51807
22 5L3R GCP 4.77816
23 3QPB R1P 5.31915
24 6ER9 FAD 5.72289
25 6ER9 NAP 5.72289
26 3Q9T FAY 6.0241
27 1U00 GLU LEU PRO PRO VAL LYS ILE HIS CYS 6.60793
28 4OTH DRN 7.22892
29 1NST A3P 7.83133
30 6G5J EM8 7.87879
31 2AZ5 307 8.10811
32 1EP2 ORO 8.36013
33 6F97 FAD 8.73494
34 5OWC AYZ 9.01639
35 4LBP 1WG 10
36 1QHO MAL 11.4458
37 2CXG GLC GLC GLC GLC 12.9518
38 3O9L LPN 18.0723
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