Receptor
PDB id Resolution Class Description Source Keywords
1DMB 1.8 Å NON-ENZYME: BINDING REFINED 1.8 ANGSTROMS STRUCTURE REVEALS THE MECHANISM OF BIN CYCLIC SUGAR, BETA-CYCLODEXTRIN, TO THE MALTODEXTRIN BINDIN ESCHERICHIA COLI SUGAR TRANSPORT
Ref.: REFINED 1.8-A STRUCTURE REVEALS THE MODE OF BINDING BETA-CYCLODEXTRIN TO THE MALTODEXTRIN BINDING PROTE BIOCHEMISTRY V. 32 10553 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC GLC GLC GLC GLC B:1;
Valid;
none;
Kd = 1.8 uM
1134.99 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 (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3SET - GLC GLC n/a n/a
2 3SEY - GLC GLC n/a n/a
3 5B3Y - GLC GLC n/a n/a
4 1JW5 - GLC GLC n/a n/a
5 3Q29 - GLC GLC n/a n/a
6 1FQC - GLO GLC GLC n/a n/a
7 5ZCA - GLC GLC n/a n/a
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 GLC GLC GLC GLC GLC GLC GLC n/a n/a
11 1FQB - SOR GLC GLC n/a n/a
12 3SEU - GLC GLC n/a n/a
13 6EQZ - GLC GLC n/a n/a
14 5B3X - GLC GLC n/a n/a
15 3G7W - GLC GLC GLC n/a n/a
16 3Q26 - GLC GLC n/a n/a
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 - GLC GLC n/a n/a
20 3Q25 - GLC GLC n/a n/a
21 4JBZ - GLC GLC n/a n/a
22 3SER - GLC GLC n/a n/a
23 1LAX Kd = 2 uM GLC GLC n/a n/a
24 6N84 - GLC GLC n/a n/a
25 3SES - GLC GLC n/a n/a
26 1MDP - GLC GLC n/a n/a
27 1MDQ - GLC GLC n/a n/a
28 3SEX - GLC GLC n/a n/a
29 1JVX - GLC GLC n/a n/a
30 5B3Z - GLC GLC n/a n/a
31 1NL5 Kd = 6 nM GLC GLC n/a n/a
32 3G7V - GLC GLC n/a n/a
33 3RUM - GLC GLC n/a n/a
34 1JVY - GLC GLC n/a n/a
35 3Q28 - GLC GLC n/a n/a
36 3SEW - GLC GLC n/a n/a
37 3LBS - GLC GLC n/a n/a
38 1EZ9 Kd = 8 uM GLO GLC GLC GLC n/a n/a
39 3Q27 - GLC GLC n/a n/a
40 5BMY - GLC GLC n/a n/a
41 1FQA - SOR GLC GLC GLC n/a n/a
42 1MPD - GLC GLC n/a n/a
43 4RG5 - GLC GLC n/a n/a
44 3HPI Kd = 6.6 uM GLC FRU n/a n/a
45 5B3W - GLC GLC n/a n/a
70% Homology Family (104)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 3VD8 - GLC GLC GLC GLC n/a n/a
2 6ANV - GLC GLC GLC GLC n/a n/a
3 3JYR Kd = 2.9 uM GLC GLC AC1 n/a n/a
4 4IFP - GLC GLC n/a n/a
5 3SET - GLC GLC n/a n/a
6 3SEY - GLC GLC n/a n/a
7 5B3Y - GLC GLC n/a n/a
8 1JW5 - GLC GLC n/a n/a
9 3Q29 - GLC GLC n/a n/a
10 1FQC - GLO GLC GLC n/a n/a
11 5ZCA - GLC GLC n/a n/a
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 GLC GLC GLC GLC GLC GLC GLC n/a n/a
15 1FQB - SOR GLC GLC n/a n/a
16 3SEU - GLC GLC n/a n/a
17 6EQZ - GLC GLC n/a n/a
18 5B3X - GLC GLC n/a n/a
19 3G7W - GLC GLC GLC n/a n/a
20 3Q26 - GLC GLC n/a n/a
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 - GLC GLC n/a n/a
24 3Q25 - GLC GLC n/a n/a
25 4JBZ - GLC GLC n/a n/a
26 3SER - GLC GLC n/a n/a
27 1LAX Kd = 2 uM GLC GLC n/a n/a
28 6N84 - GLC GLC n/a n/a
29 3SES - GLC GLC n/a n/a
30 1MDP - GLC GLC n/a n/a
31 1MDQ - GLC GLC n/a n/a
32 3SEX - GLC GLC n/a n/a
33 1JVX - GLC GLC n/a n/a
34 5B3Z - GLC GLC n/a n/a
35 1NL5 Kd = 6 nM GLC GLC n/a n/a
36 3G7V - GLC GLC n/a n/a
37 3RUM - GLC GLC n/a n/a
38 1JVY - GLC GLC n/a n/a
39 3Q28 - GLC GLC n/a n/a
40 3SEW - GLC GLC n/a n/a
41 3LBS - GLC GLC n/a n/a
42 1EZ9 Kd = 8 uM GLO GLC GLC GLC n/a n/a
43 3Q27 - GLC GLC n/a n/a
44 5BMY - GLC GLC n/a n/a
45 1FQA - SOR GLC GLC GLC n/a n/a
46 1MPD - GLC GLC n/a n/a
47 4RG5 - GLC GLC n/a n/a
48 3HPI Kd = 6.6 uM GLC FRU n/a n/a
49 5B3W - GLC GLC n/a n/a
50 2VGQ - GLC GLC GLC GLC n/a n/a
51 5IHJ - GLC GLC GLC n/a n/a
52 5CFV - GLC GLC n/a n/a
53 5II5 - GLC GLC n/a n/a
54 5II4 - GLC GLC n/a n/a
55 5IQZ - GLC GLC n/a n/a
56 4WMT - 865 C37 H36 N6 O4 Cc1ccnc(c1....
57 4WGI - 3M6 C30 H30 F4 N4 O7 S C[C@@H]1CN....
58 6YBK Ki = 5 nM OK2 C40 H38 Cl F N6 O5 S Cc1c(ccc(c....
59 6QYO - GLC GLC n/a n/a
60 6QZ7 - JLE C25 H22 N4 O2 S CCc1c(c2c(....
61 6QXJ - GLC GLC n/a n/a
62 4WMX Kd = 14.1 uM 3R7 C15 H13 N O4 S C=Cc1ccc(c....
63 4WMV Kd = 93 uM 3R4 C9 H4 Cl F O2 S c1cc2c(cc1....
64 6YBL Ki = 0.029 nM OK5 C47 H44 Cl F N6 O6 S Cc1c(ccc(c....
65 4WMW - 3R6 C8 H8 O3 S CSc1ccc(c(....
66 4WMS - GLC GLC n/a n/a
67 6QYL - JLE C25 H22 N4 O2 S CCc1c(c2c(....
68 6QYN - GLC GLC n/a n/a
69 5LOF Kd = 0.19 nM 70R C39 H37 Cl F4 N6 O6 S Cc1c(ccc(c....
70 6YBJ Ki = 0.86 nM OJW C38 H38 Cl F N6 O6 S Cc1c(ccc(c....
71 4WMU Kd = 0.18 uM 19H C20 H19 Cl2 N O3 Cc1cc(cc(c....
72 6QYK - GLC GLC n/a n/a
73 6QGD - J1N C17 H17 N3 O3 S CCc1c(c2c(....
74 5OSQ - GLC GLC n/a n/a
75 3D4G - GLC GLC n/a n/a
76 4WTH - GLC GLC n/a n/a
77 4YS9 - GLC GLC n/a n/a
78 4MY2 - GLC GLC n/a n/a
79 4KYC - GLC GLC n/a n/a
80 1HSJ - GLC GLC n/a n/a
81 5HZ7 - BGC C6 H12 O6 C([C@@H]1[....
82 3H4Z - GLC GLC n/a n/a
83 5WPZ - GLC GLC n/a n/a
84 5WQ6 - GLC GLC n/a n/a
85 5H7Q - GLC GLC n/a n/a
86 3OAI - GLC GLC n/a n/a
87 5TTD - GLC GLC GLC n/a n/a
88 4KYD - GLC GLC n/a n/a
89 5JST - GLC GLC n/a n/a
90 2XZ3 - GLC GLC n/a n/a
91 3N94 - GLC GLC n/a n/a
92 4XZS - GLC GLC n/a n/a
93 5H7N - GLC GLC GLC GLC n/a n/a
94 4PE2 - GLC GLC n/a n/a
95 4TSM - GLC GLC GLC GLC n/a n/a
96 4IKM - GLC GLC n/a n/a
97 1Y4C - GLC GLC n/a n/a
98 6WBH - GLC GLC n/a n/a
99 6WBJ - GLC GLC n/a n/a
100 5C7R - GLC GLC GLC n/a n/a
101 5DFM - GLC GLC n/a n/a
102 4IRL - GLC GLC GLC GLC n/a n/a
103 1MG1 - GLC GLC n/a n/a
104 5AZ7 - GLC GLC n/a n/a
50% Homology Family (115)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 3VD8 - GLC GLC GLC GLC n/a n/a
2 6ANV - GLC GLC GLC GLC n/a n/a
3 3JYR Kd = 2.9 uM GLC GLC AC1 n/a n/a
4 4IFP - GLC GLC n/a n/a
5 5I04 - GLC GLC n/a n/a
6 3SET - GLC GLC n/a n/a
7 3SEY - GLC GLC n/a n/a
8 5B3Y - GLC GLC n/a n/a
9 1JW5 - GLC GLC n/a n/a
10 3Q29 - GLC GLC n/a n/a
11 1FQC - GLO GLC GLC n/a n/a
12 5ZCA - GLC GLC n/a n/a
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 GLC GLC GLC GLC GLC GLC GLC n/a n/a
16 1FQB - SOR GLC GLC n/a n/a
17 3SEU - GLC GLC n/a n/a
18 6EQZ - GLC GLC n/a n/a
19 5B3X - GLC GLC n/a n/a
20 3G7W - GLC GLC GLC n/a n/a
21 3Q26 - GLC GLC n/a n/a
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 - GLC GLC n/a n/a
25 3Q25 - GLC GLC n/a n/a
26 4JBZ - GLC GLC n/a n/a
27 3SER - GLC GLC n/a n/a
28 1LAX Kd = 2 uM GLC GLC n/a n/a
29 6N84 - GLC GLC n/a n/a
30 3SES - GLC GLC n/a n/a
31 1MDP - GLC GLC n/a n/a
32 1MDQ - GLC GLC n/a n/a
33 3SEX - GLC GLC n/a n/a
34 1JVX - GLC GLC n/a n/a
35 5B3Z - GLC GLC n/a n/a
36 1NL5 Kd = 6 nM GLC GLC n/a n/a
37 3G7V - GLC GLC n/a n/a
38 3RUM - GLC GLC n/a n/a
39 1JVY - GLC GLC n/a n/a
40 3Q28 - GLC GLC n/a n/a
41 3SEW - GLC GLC n/a n/a
42 3LBS - GLC GLC n/a n/a
43 1EZ9 Kd = 8 uM GLO GLC GLC GLC n/a n/a
44 3Q27 - GLC GLC n/a n/a
45 5BMY - GLC GLC n/a n/a
46 1FQA - SOR GLC GLC GLC n/a n/a
47 1MPD - GLC GLC n/a n/a
48 4RG5 - GLC GLC n/a n/a
49 3HPI Kd = 6.6 uM GLC FRU n/a n/a
50 5B3W - GLC GLC n/a n/a
51 2VGQ - GLC GLC GLC GLC n/a n/a
52 5IHJ - GLC GLC GLC n/a n/a
53 5CFV - GLC GLC n/a n/a
54 5II5 - GLC GLC n/a n/a
55 5II4 - GLC GLC n/a n/a
56 5IQZ - GLC GLC n/a n/a
57 4WMT - 865 C37 H36 N6 O4 Cc1ccnc(c1....
58 4WGI - 3M6 C30 H30 F4 N4 O7 S C[C@@H]1CN....
59 6YBK Ki = 5 nM OK2 C40 H38 Cl F N6 O5 S Cc1c(ccc(c....
60 6QYO - GLC GLC n/a n/a
61 6QZ7 - JLE C25 H22 N4 O2 S CCc1c(c2c(....
62 6QXJ - GLC GLC n/a n/a
63 4WMX Kd = 14.1 uM 3R7 C15 H13 N O4 S C=Cc1ccc(c....
64 4WMV Kd = 93 uM 3R4 C9 H4 Cl F O2 S c1cc2c(cc1....
65 6YBL Ki = 0.029 nM OK5 C47 H44 Cl F N6 O6 S Cc1c(ccc(c....
66 4WMW - 3R6 C8 H8 O3 S CSc1ccc(c(....
67 4WMS - GLC GLC n/a n/a
68 6QYL - JLE C25 H22 N4 O2 S CCc1c(c2c(....
69 6QYN - GLC GLC n/a n/a
70 5LOF Kd = 0.19 nM 70R C39 H37 Cl F4 N6 O6 S Cc1c(ccc(c....
71 6YBJ Ki = 0.86 nM OJW C38 H38 Cl F N6 O6 S Cc1c(ccc(c....
72 4WMU Kd = 0.18 uM 19H C20 H19 Cl2 N O3 Cc1cc(cc(c....
73 6QYK - GLC GLC n/a n/a
74 6QGD - J1N C17 H17 N3 O3 S CCc1c(c2c(....
75 5OSQ - GLC GLC n/a n/a
76 3D4G - GLC GLC n/a n/a
77 4WVH - GLC GLC n/a n/a
78 4WVG - GLC GLC n/a n/a
79 4WTH - GLC GLC n/a n/a
80 4YS9 - GLC GLC n/a n/a
81 4MY2 - GLC GLC n/a n/a
82 4KYC - GLC GLC n/a n/a
83 1HSJ - GLC GLC n/a n/a
84 5HZ7 - BGC C6 H12 O6 C([C@@H]1[....
85 3H4Z - GLC GLC n/a n/a
86 5WPZ - GLC GLC n/a n/a
87 5WQ6 - GLC GLC n/a n/a
88 5H7Q - GLC GLC n/a n/a
89 3DM0 - GLC GLC n/a n/a
90 3OAI - GLC GLC n/a n/a
91 5TTD - GLC GLC GLC n/a n/a
92 4KYD - GLC GLC n/a n/a
93 5JST - GLC GLC n/a n/a
94 2XZ3 - GLC GLC n/a n/a
95 3N94 - GLC GLC n/a n/a
96 4QVH - FLC C6 H5 O7 C(C(=O)[O-....
97 4XZS - GLC GLC n/a n/a
98 5H7N - GLC GLC GLC GLC n/a n/a
99 4PE2 - GLC GLC n/a n/a
100 3O3U - GLC GLC GLC n/a n/a
101 4TSM - GLC GLC GLC GLC n/a n/a
102 4IKM - GLC GLC n/a n/a
103 1Y4C - GLC GLC n/a n/a
104 6WBH - GLC GLC n/a n/a
105 6WBJ - GLC GLC n/a n/a
106 5T05 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
107 5T0A - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
108 5T03 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
109 5C7R - GLC GLC GLC n/a n/a
110 5DFM - GLC GLC n/a n/a
111 4IRL - GLC GLC GLC GLC n/a n/a
112 1MG1 - GLC GLC n/a n/a
113 5AZ7 - GLC GLC n/a n/a
114 6ZIS - 3N6 C38 H47 Br2 N9 O5 c1ccc2c(c1....
115 6ZHO - QLQ C40 H49 N11 O5 Cc1cc(cc2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC 1 1
3 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC 0.510638 0.939394
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NL5; Ligand: GLC GLC; 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 38 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
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