Receptor
PDB id Resolution Class Description Source Keywords
4MBP 1.7 Å NON-ENZYME: BINDING MALTODEXTRIN BINDING PROTEIN WITH BOUND MALTETROSE ESCHERICHIA COLI PERIPLASMIC BINDING PROTEIN TRANSPORT SUGAR TRANSPORT
Ref.: EXTENSIVE FEATURES OF TIGHT OLIGOSACCHARIDE BINDING IN HIGH-RESOLUTION STRUCTURES OF THE MALTODEXTRIN TRANSPORT/CHEMOSENSORY RECEPTOR. STRUCTURE V. 5 997 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC GLC A:374;
Valid;
none;
Ki = 2.3 uM
648.564 n/a OCC1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NL5 2.1 Å NON-ENZYME: BINDING ENGINEERED HIGH-AFFINITY MALTOSE-BINDING PROTEIN ESCHERICHIA COLI MBP MALTOSE-BINDING PROTEIN HIGH-AFFINITY MUTANT MALTODEXBINDING PROTEIN SUGAR BINDING PROTEIN
Ref.: INSIGHTS INTO THE CONFORMATIONAL EQUILIBRIA OF MALTOSE-BINDING PROTEIN BY ANALYSIS OF HIGH AFFINIT MUTANTS. J.BIOL.CHEM. V. 278 34555 2003
Members (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3SET - MAL C12 H22 O11 C([C@@H]1[....
2 3SEY - MAL C12 H22 O11 C([C@@H]1[....
3 5B3Y - MAL C12 H22 O11 C([C@@H]1[....
4 1JW5 - GLC GLC n/a n/a
5 3Q29 - MAL C12 H22 O11 C([C@@H]1[....
6 1FQC - GLO GLC GLC n/a n/a
7 5ZCA - MAL C12 H22 O11 C([C@@H]1[....
8 1ANF Ki = 3.5 uM GLC GLC n/a n/a
9 3MBP Ki = 0.16 uM GLC GLC GLC n/a n/a
10 1DMB Kd = 1.8 uM BCD C42 H70 O35 C([C@@H]1[....
11 1FQB - SOR GLC GLC n/a n/a
12 3SEU - MAL C12 H22 O11 C([C@@H]1[....
13 6EQZ - MAL C12 H22 O11 C([C@@H]1[....
14 5B3X - MAL C12 H22 O11 C([C@@H]1[....
15 3G7W - MLR C18 H32 O16 C([C@@H]1[....
16 3Q26 - MAL C12 H22 O11 C([C@@H]1[....
17 4MBP Ki = 2.3 uM GLC GLC GLC GLC n/a n/a
18 1FQD - GLO GLC GLC GLC n/a n/a
19 5MM3 - MAL C12 H22 O11 C([C@@H]1[....
20 3Q25 - MAL C12 H22 O11 C([C@@H]1[....
21 4JBZ - MAL C12 H22 O11 C([C@@H]1[....
22 3SER - MAL C12 H22 O11 C([C@@H]1[....
23 1LAX Kd = 2 uM GLC GLC n/a n/a
24 3SES - MAL C12 H22 O11 C([C@@H]1[....
25 1MDP - MAL C12 H22 O11 C([C@@H]1[....
26 1MDQ - MAL C12 H22 O11 C([C@@H]1[....
27 3SEX - MAL C12 H22 O11 C([C@@H]1[....
28 1JVX - MAL C12 H22 O11 C([C@@H]1[....
29 5B3Z - MAL C12 H22 O11 C([C@@H]1[....
30 1NL5 Kd = 6 nM MAL C12 H22 O11 C([C@@H]1[....
31 3G7V - MAL C12 H22 O11 C([C@@H]1[....
32 3RUM - MAL C12 H22 O11 C([C@@H]1[....
33 1JVY - MAL C12 H22 O11 C([C@@H]1[....
34 3Q28 - MAL C12 H22 O11 C([C@@H]1[....
35 3SEW - MAL C12 H22 O11 C([C@@H]1[....
36 3LBS - MAL C12 H22 O11 C([C@@H]1[....
37 1EZ9 Kd = 8 uM GLO GLC GLC GLC n/a n/a
38 3Q27 - MAL C12 H22 O11 C([C@@H]1[....
39 5BMY - MAL C12 H22 O11 C([C@@H]1[....
40 1FQA - SOR GLC GLC GLC n/a n/a
41 1MPD - MAL C12 H22 O11 C([C@@H]1[....
42 4RG5 - MAL C12 H22 O11 C([C@@H]1[....
43 3HPI Kd = 6.6 uM SUC C12 H22 O11 C([C@@H]1[....
44 5B3W - MAL C12 H22 O11 C([C@@H]1[....
70% Homology Family (91)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 3VD8 - MTT C24 H42 O21 C([C@@H]1[....
2 6ANV - MTT C24 H42 O21 C([C@@H]1[....
3 3JYR Kd = 248 uM ACR C25 H43 N O18 C[C@@H]1[C....
4 4IFP - MAL C12 H22 O11 C([C@@H]1[....
5 3SET - MAL C12 H22 O11 C([C@@H]1[....
6 3SEY - MAL C12 H22 O11 C([C@@H]1[....
7 5B3Y - MAL C12 H22 O11 C([C@@H]1[....
8 1JW5 - GLC GLC n/a n/a
9 3Q29 - MAL C12 H22 O11 C([C@@H]1[....
10 1FQC - GLO GLC GLC n/a n/a
11 5ZCA - MAL C12 H22 O11 C([C@@H]1[....
12 1ANF Ki = 3.5 uM GLC GLC n/a n/a
13 3MBP Ki = 0.16 uM GLC GLC GLC n/a n/a
14 1DMB Kd = 1.8 uM BCD C42 H70 O35 C([C@@H]1[....
15 1FQB - SOR GLC GLC n/a n/a
16 3SEU - MAL C12 H22 O11 C([C@@H]1[....
17 6EQZ - MAL C12 H22 O11 C([C@@H]1[....
18 5B3X - MAL C12 H22 O11 C([C@@H]1[....
19 3G7W - MLR C18 H32 O16 C([C@@H]1[....
20 3Q26 - MAL C12 H22 O11 C([C@@H]1[....
21 4MBP Ki = 2.3 uM GLC GLC GLC GLC n/a n/a
22 1FQD - GLO GLC GLC GLC n/a n/a
23 5MM3 - MAL C12 H22 O11 C([C@@H]1[....
24 3Q25 - MAL C12 H22 O11 C([C@@H]1[....
25 4JBZ - MAL C12 H22 O11 C([C@@H]1[....
26 3SER - MAL C12 H22 O11 C([C@@H]1[....
27 1LAX Kd = 2 uM GLC GLC n/a n/a
28 3SES - MAL C12 H22 O11 C([C@@H]1[....
29 1MDP - MAL C12 H22 O11 C([C@@H]1[....
30 1MDQ - MAL C12 H22 O11 C([C@@H]1[....
31 3SEX - MAL C12 H22 O11 C([C@@H]1[....
32 1JVX - MAL C12 H22 O11 C([C@@H]1[....
33 5B3Z - MAL C12 H22 O11 C([C@@H]1[....
34 1NL5 Kd = 6 nM MAL C12 H22 O11 C([C@@H]1[....
35 3G7V - MAL C12 H22 O11 C([C@@H]1[....
36 3RUM - MAL C12 H22 O11 C([C@@H]1[....
37 1JVY - MAL C12 H22 O11 C([C@@H]1[....
38 3Q28 - MAL C12 H22 O11 C([C@@H]1[....
39 3SEW - MAL C12 H22 O11 C([C@@H]1[....
40 3LBS - MAL C12 H22 O11 C([C@@H]1[....
41 1EZ9 Kd = 8 uM GLO GLC GLC GLC n/a n/a
42 3Q27 - MAL C12 H22 O11 C([C@@H]1[....
43 5BMY - MAL C12 H22 O11 C([C@@H]1[....
44 1FQA - SOR GLC GLC GLC n/a n/a
45 1MPD - MAL C12 H22 O11 C([C@@H]1[....
46 4RG5 - MAL C12 H22 O11 C([C@@H]1[....
47 3HPI Kd = 6.6 uM SUC C12 H22 O11 C([C@@H]1[....
48 5B3W - MAL C12 H22 O11 C([C@@H]1[....
49 2VGQ - MTT C24 H42 O21 C([C@@H]1[....
50 5IHJ - MLR C18 H32 O16 C([C@@H]1[....
51 5CFV - MAL C12 H22 O11 C([C@@H]1[....
52 5II5 - MAL C12 H22 O11 C([C@@H]1[....
53 5II4 - MAL C12 H22 O11 C([C@@H]1[....
54 5IQZ - MAL C12 H22 O11 C([C@@H]1[....
55 4WMT - 865 C37 H36 N6 O4 Cc1ccnc(c1....
56 4WGI - MAL C12 H22 O11 C([C@@H]1[....
57 4WMX Kd = 14.1 uM 3R7 C15 H13 N O4 S C=Cc1ccc(c....
58 4WMV ic50 = 93 uM 3R4 C9 H4 Cl F O2 S c1cc2c(cc1....
59 4WMW - MAL C12 H22 O11 C([C@@H]1[....
60 4WMS - MAL C12 H22 O11 C([C@@H]1[....
61 5LOF Kd = 0.19 nM 70R C39 H37 Cl F4 N6 O6 S Cc1c(ccc(c....
62 4WMU Kd = 0.18 uM 19H C20 H19 Cl2 N O3 Cc1cc(cc(c....
63 5OSQ - MAL C12 H22 O11 C([C@@H]1[....
64 3D4G - MAL C12 H22 O11 C([C@@H]1[....
65 4WTH - MAL C12 H22 O11 C([C@@H]1[....
66 4YS9 - MAL C12 H22 O11 C([C@@H]1[....
67 4MY2 - MAL C12 H22 O11 C([C@@H]1[....
68 4KYC - MAL C12 H22 O11 C([C@@H]1[....
69 1HSJ - GLC GLC n/a n/a
70 5HZ7 - MLR C18 H32 O16 C([C@@H]1[....
71 3H4Z - GLC GLC n/a n/a
72 5WPZ - MAL C12 H22 O11 C([C@@H]1[....
73 5WQ6 - MAL C12 H22 O11 C([C@@H]1[....
74 5H7Q - MAL C12 H22 O11 C([C@@H]1[....
75 3OAI - MAL C12 H22 O11 C([C@@H]1[....
76 5TTD - MLR C18 H32 O16 C([C@@H]1[....
77 4KYD - MAL C12 H22 O11 C([C@@H]1[....
78 5JST - MAL C12 H22 O11 C([C@@H]1[....
79 2XZ3 - MAL C12 H22 O11 C([C@@H]1[....
80 3N94 - MAL C12 H22 O11 C([C@@H]1[....
81 4XZS - GLC GLC n/a n/a
82 5H7N - MTT C24 H42 O21 C([C@@H]1[....
83 4PE2 - MAL MAL n/a n/a
84 4TSM - MTT C24 H42 O21 C([C@@H]1[....
85 4IKM - MAL C12 H22 O11 C([C@@H]1[....
86 1Y4C - GLC GLC n/a n/a
87 5C7R - MLR C18 H32 O16 C([C@@H]1[....
88 5DFM - MAL C12 H22 O11 C([C@@H]1[....
89 4IRL - MTT C24 H42 O21 C([C@@H]1[....
90 1MG1 - MAL C12 H22 O11 C([C@@H]1[....
91 5AZ7 - MAL C12 H22 O11 C([C@@H]1[....
50% Homology Family (100)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 3VD8 - MTT C24 H42 O21 C([C@@H]1[....
2 6ANV - MTT C24 H42 O21 C([C@@H]1[....
3 3JYR Kd = 248 uM ACR C25 H43 N O18 C[C@@H]1[C....
4 4IFP - MAL C12 H22 O11 C([C@@H]1[....
5 5I04 - MAL C12 H22 O11 C([C@@H]1[....
6 3SET - MAL C12 H22 O11 C([C@@H]1[....
7 3SEY - MAL C12 H22 O11 C([C@@H]1[....
8 5B3Y - MAL C12 H22 O11 C([C@@H]1[....
9 1JW5 - GLC GLC n/a n/a
10 3Q29 - MAL C12 H22 O11 C([C@@H]1[....
11 1FQC - GLO GLC GLC n/a n/a
12 5ZCA - MAL C12 H22 O11 C([C@@H]1[....
13 1ANF Ki = 3.5 uM GLC GLC n/a n/a
14 3MBP Ki = 0.16 uM GLC GLC GLC n/a n/a
15 1DMB Kd = 1.8 uM BCD C42 H70 O35 C([C@@H]1[....
16 1FQB - SOR GLC GLC n/a n/a
17 3SEU - MAL C12 H22 O11 C([C@@H]1[....
18 6EQZ - MAL C12 H22 O11 C([C@@H]1[....
19 5B3X - MAL C12 H22 O11 C([C@@H]1[....
20 3G7W - MLR C18 H32 O16 C([C@@H]1[....
21 3Q26 - MAL C12 H22 O11 C([C@@H]1[....
22 4MBP Ki = 2.3 uM GLC GLC GLC GLC n/a n/a
23 1FQD - GLO GLC GLC GLC n/a n/a
24 5MM3 - MAL C12 H22 O11 C([C@@H]1[....
25 3Q25 - MAL C12 H22 O11 C([C@@H]1[....
26 4JBZ - MAL C12 H22 O11 C([C@@H]1[....
27 3SER - MAL C12 H22 O11 C([C@@H]1[....
28 1LAX Kd = 2 uM GLC GLC n/a n/a
29 3SES - MAL C12 H22 O11 C([C@@H]1[....
30 1MDP - MAL C12 H22 O11 C([C@@H]1[....
31 1MDQ - MAL C12 H22 O11 C([C@@H]1[....
32 3SEX - MAL C12 H22 O11 C([C@@H]1[....
33 1JVX - MAL C12 H22 O11 C([C@@H]1[....
34 5B3Z - MAL C12 H22 O11 C([C@@H]1[....
35 1NL5 Kd = 6 nM MAL C12 H22 O11 C([C@@H]1[....
36 3G7V - MAL C12 H22 O11 C([C@@H]1[....
37 3RUM - MAL C12 H22 O11 C([C@@H]1[....
38 1JVY - MAL C12 H22 O11 C([C@@H]1[....
39 3Q28 - MAL C12 H22 O11 C([C@@H]1[....
40 3SEW - MAL C12 H22 O11 C([C@@H]1[....
41 3LBS - MAL C12 H22 O11 C([C@@H]1[....
42 1EZ9 Kd = 8 uM GLO GLC GLC GLC n/a n/a
43 3Q27 - MAL C12 H22 O11 C([C@@H]1[....
44 5BMY - MAL C12 H22 O11 C([C@@H]1[....
45 1FQA - SOR GLC GLC GLC n/a n/a
46 1MPD - MAL C12 H22 O11 C([C@@H]1[....
47 4RG5 - MAL C12 H22 O11 C([C@@H]1[....
48 3HPI Kd = 6.6 uM SUC C12 H22 O11 C([C@@H]1[....
49 5B3W - MAL C12 H22 O11 C([C@@H]1[....
50 2VGQ - MTT C24 H42 O21 C([C@@H]1[....
51 5IHJ - MLR C18 H32 O16 C([C@@H]1[....
52 5CFV - MAL C12 H22 O11 C([C@@H]1[....
53 5II5 - MAL C12 H22 O11 C([C@@H]1[....
54 5II4 - MAL C12 H22 O11 C([C@@H]1[....
55 5IQZ - MAL C12 H22 O11 C([C@@H]1[....
56 4WMT - 865 C37 H36 N6 O4 Cc1ccnc(c1....
57 4WGI - MAL C12 H22 O11 C([C@@H]1[....
58 4WMX Kd = 14.1 uM 3R7 C15 H13 N O4 S C=Cc1ccc(c....
59 4WMV ic50 = 93 uM 3R4 C9 H4 Cl F O2 S c1cc2c(cc1....
60 4WMW - MAL C12 H22 O11 C([C@@H]1[....
61 4WMS - MAL C12 H22 O11 C([C@@H]1[....
62 5LOF Kd = 0.19 nM 70R C39 H37 Cl F4 N6 O6 S Cc1c(ccc(c....
63 4WMU Kd = 0.18 uM 19H C20 H19 Cl2 N O3 Cc1cc(cc(c....
64 5OSQ - MAL C12 H22 O11 C([C@@H]1[....
65 3D4G - MAL C12 H22 O11 C([C@@H]1[....
66 4WVH - MAL C12 H22 O11 C([C@@H]1[....
67 4WVG - MAL C12 H22 O11 C([C@@H]1[....
68 4WTH - MAL C12 H22 O11 C([C@@H]1[....
69 4YS9 - MAL C12 H22 O11 C([C@@H]1[....
70 4MY2 - MAL C12 H22 O11 C([C@@H]1[....
71 4KYC - MAL C12 H22 O11 C([C@@H]1[....
72 1HSJ - GLC GLC n/a n/a
73 5HZ7 - MLR C18 H32 O16 C([C@@H]1[....
74 3H4Z - GLC GLC n/a n/a
75 5WPZ - MAL C12 H22 O11 C([C@@H]1[....
76 5WQ6 - MAL C12 H22 O11 C([C@@H]1[....
77 5H7Q - MAL C12 H22 O11 C([C@@H]1[....
78 3DM0 - GLC GLC n/a n/a
79 3OAI - MAL C12 H22 O11 C([C@@H]1[....
80 5TTD - MLR C18 H32 O16 C([C@@H]1[....
81 4KYD - MAL C12 H22 O11 C([C@@H]1[....
82 5JST - MAL C12 H22 O11 C([C@@H]1[....
83 2XZ3 - MAL C12 H22 O11 C([C@@H]1[....
84 3N94 - MAL C12 H22 O11 C([C@@H]1[....
85 4QVH - FLC C6 H5 O7 C(C(=O)[O-....
86 4XZS - GLC GLC n/a n/a
87 5H7N - MTT C24 H42 O21 C([C@@H]1[....
88 4PE2 - MAL MAL n/a n/a
89 3O3U - MLR C18 H32 O16 C([C@@H]1[....
90 4TSM - MTT C24 H42 O21 C([C@@H]1[....
91 4IKM - MAL C12 H22 O11 C([C@@H]1[....
92 1Y4C - GLC GLC n/a n/a
93 5T05 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
94 5T0A - GNS BDP GNS IDS GNS BDP NPO n/a n/a
95 5T03 - GNS BDP GNS BDP GNS BDP NPO n/a n/a
96 5C7R - MLR C18 H32 O16 C([C@@H]1[....
97 5DFM - MAL C12 H22 O11 C([C@@H]1[....
98 4IRL - MTT C24 H42 O21 C([C@@H]1[....
99 1MG1 - MAL C12 H22 O11 C([C@@H]1[....
100 5AZ7 - MAL C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC GLC GLC; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC 1 1
2 RCD 0.510638 0.939394
3 BCD 0.510638 0.939394
4 GLC GLC GLC GLC GLC GLC 0.510638 0.939394
5 GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
6 GLC GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
7 ACX 0.510638 0.939394
8 4PW 0.5 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NL5; Ligand: MAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1nl5.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
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