Receptor
PDB id Resolution Class Description Source Keywords
1FQD 2.3 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MALTOTETRAITOL BOUND TO CLOSED-FORM MAL BINDING PROTEIN ESCHERICHIA COLI SUGAR-BINDING PROTEIN MALTOTETRAITOL SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF THE MALTODEXTRIN/MALTOSE-BIND PROTEIN COMPLEXED WITH REDUCED OLIGOSACCHARIDES: FL OF TERTIARY STRUCTURE AND LIGAND BINDING. J.MOL.BIOL. V. 306 1115 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLO GLC GLC GLC B:1;
Valid;
none;
submit data
666.579 n/a O=CC(...
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: GLO GLC GLC GLC; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 GLO GLC GLC GLC 1 1
2 GLO GLC GLC 0.96875 1
3 GLC BGC BGC 0.768116 1
4 SOR GLC GLC 0.73913 0.971429
5 GLO BGC 0.712121 0.914286
6 GLO BGC BGC XYS BGC XYS XYS 0.586957 0.972222
7 BGC GLA GAL 0.537313 0.942857
8 GLO GLC 0.507042 0.885714
9 GLC GLC GLC GLC BGC GLC GLC 0.5 0.942857
10 MAN BMA BMA BMA BMA BMA BMA 0.5 0.942857
11 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.942857
12 GCO GAL 0.480519 0.916667
13 CEZ 0.480519 0.942857
14 G2F SHG BGC BGC 0.480519 0.846154
15 MGL GAL 0.472222 0.891892
16 BGC BGC BGC BGC BGC BGC BGC BGC 0.4625 0.942857
17 MAN BMA BMA 0.461538 0.944444
18 BGC 5VQ GAL GLA 0.461538 0.846154
19 FRU BGC BGC BGC 0.45679 0.871795
20 BGC XGP 0.454545 0.75
21 GLC EDO GLC 0.447368 0.944444
22 G2F BGC BGC BGC BGC BGC 0.444444 0.825
23 GLC NBU GAL GLA 0.444444 0.804878
24 XYS GLC GLC 0.440476 0.971429
25 BGC OXZ BGC 0.433735 0.693878
26 G3I 0.433735 0.772727
27 G2I 0.433735 0.772727
28 GLC GLC G6D ADH GLC GLC 0.430233 0.6875
29 BGC GAL NGA GAL 0.422222 0.73913
30 BQZ 0.42029 0.857143
31 LAG 0.418605 0.607143
32 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.418605 0.942857
33 6UZ 0.418605 0.804878
34 BMA BMA BMA BMA GLA 0.418605 0.942857
35 DMU 0.416667 0.75
36 LMT 0.416667 0.75
37 UMQ 0.416667 0.75
38 LMU 0.416667 0.75
39 RCB 0.41573 0.6
40 BGC GAL GLA 0.4125 0.942857
41 GPM GLC 0.4125 0.733333
42 BGC GAL GLA NGA GAL 0.410526 0.73913
43 BMA BMA BMA BMA 0.409639 0.942857
44 BGC GLC GLC GLC 0.406977 0.942857
45 GLC GLC GLC GLC GLC 0.406977 0.942857
46 GAL GLA 0.405405 0.942857
47 NAG GAL BGC GAL 0.402174 0.73913
48 GAL NAG GAL 0.4 0.73913
49 BMA BMA BMA BMA GLA BMA GLA 0.4 0.918919
Similar Ligands (3D)
Ligand no: 1; Ligand: GLO GLC GLC GLC; Similar ligands found: 2
No: Ligand Similarity coefficient
1 SOR GLC GLC GLC 0.9708
2 GLC GLC GLC GLC 0.8881
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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