Receptor
PDB id Resolution Class Description Source Keywords
3MBP 1.7 Å NON-ENZYME: BINDING MALTODEXTRIN-BINDING PROTEIN WITH BOUND MALTOTRIOSE ESCHERICHIA COLI PERIPLASMIC BINDING PROTEIN
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 B:1;
Valid;
none;
Ki = 0.16 uM
488.439 n/a O(CC1...
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; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC 1 1
2 BGC BGC GLC BGC XYS BGC XYS XYS 0.690141 0.972222
3 MAN BMA BMA 0.65625 1
4 BGC GLC GLC 0.651515 0.942857
5 BGC BGC BGC XYS XYS GAL 0.6375 0.972222
6 GLC GLC GLC GLC GLC 0.614286 0.942857
7 BGC GLC GLC GLC 0.614286 0.942857
8 MAN MAN BMA 0.602941 1
9 BGC BGC BGC BGC 0.597222 0.942857
10 BMA MAN MAN 0.573529 0.942857
11 BGC BGC XYS XYS GAL 0.573171 0.944444
12 BGC BGC BGC XYS XYS GAL GAL 0.573171 0.944444
13 BGC GLC GLC GLC GLC GLC 0.571429 0.942857
14 BGC GLC GLC GLC GLC 0.571429 0.942857
15 BGC BGC XYS GAL 0.552632 0.944444
16 GLC GLC XYS XYS 0.547945 0.916667
17 BGC BGC XYS BGC XYS XYS GAL 0.546512 0.944444
18 BGC BGC BGC XYS 0.538462 0.944444
19 BGC BGC BGC XYS BGC XYS XYS 0.5375 0.944444
20 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.534091 0.944444
21 BGC BGC BGC XYS BGC XYS XYS GAL 0.534091 0.944444
22 MMA MAN 0.53125 0.891892
23 BMA BMA BMA BMA GLA 0.52 0.942857
24 GLC AGL 0.514706 0.755556
25 MMA MAN MAN 0.513889 0.891892
26 BGC BGC BGC XYS BGC XYS 0.506173 0.944444
27 BGC BGC BGC BGC BGC XYS 0.493976 0.944444
28 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.493976 0.944444
29 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.493976 0.944444
30 BGC BGC BGC XYS BGC XYS GAL 0.488636 0.944444
31 AHR AHR AHR AHR AHR 0.484375 0.810811
32 AHR AHR AHR AHR 0.484375 0.810811
33 AHR AHR AHR AHR AHR AHR 0.484375 0.810811
34 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.480519 0.942857
35 MAN MAN MAN MAN MAN MAN MAN 0.47619 0.942857
36 H1M MAN MAN 0.474359 0.871795
37 NBG BGC BGC XYS BGC XYS XYS 0.47191 0.708333
38 BMA MAN MAN MAN 0.4625 0.868421
39 MAN MAN MAN 0.4625 0.916667
40 1GN ACY GAL 1GN BGC ACY GAL BGC 0.461538 0.66
41 AHR AHR 0.460317 0.810811
42 G2F BGC BGC BGC BGC BGC 0.453333 0.871795
43 NAG BMA 0.453333 0.693878
44 NAG GAL BGC GAL 0.440476 0.702128
45 BMA MAN MAN MAN MAN 0.440476 0.891892
46 BMA NGT MAN MAN 0.43956 0.634615
47 BMA BMA BMA BMA GLA BMA GLA 0.436782 0.868421
48 GLC EDO GLC 0.43662 0.944444
49 FRU GLC GLA 0.435897 0.846154
50 NAG NAG BMA MAN MAN MAN MAN 0.433962 0.673077
51 NAG NAG MAN MAN MAN 0.431579 0.66
52 NOJ BGC 0.430556 0.73913
53 Z9N GLC 0.430556 0.846154
54 GLC FRU GLA GLA GLA 0.43038 0.846154
55 GLC FRU GLA GLA 0.43038 0.846154
56 QPU 0.426829 0.772727
57 IFM MAN 0.424658 0.717391
58 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.418367 0.702128
59 BGC GLA GAL 0.41791 0.942857
60 NGB 0.414634 0.6
61 GAL GLA 0.411765 0.942857
62 NOJ GLC 0.410959 0.73913
63 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.408451 0.942857
64 MAN BMA BMA BMA BMA BMA BMA 0.408451 0.942857
65 GLC GLC GLC GLC BGC GLC GLC 0.408451 0.942857
66 GLO BGC BGC XYS BGC XYS XYS 0.408163 0.918919
67 LSE 0.407407 0.66
68 BQZ 0.40625 0.857143
69 MAN MAN 0.405797 0.942857
70 GLC FRU GLA 0.404762 0.846154
71 BGC BGC BGC BGC BGC BGC 0.402778 0.942857
72 GLC BGC BGC BGC 0.402778 0.942857
73 BGC BGC BGC 0.402778 0.942857
74 BGC BGC BGC BGC BGC 0.402778 0.942857
75 BGC BGC BGC BGC BGC BGC BGC 0.402778 0.942857
76 5QP 0.402778 0.942857
77 NAG BMA MAN MAN MAN MAN 0.4 0.702128
78 MGL GAL 0.4 0.891892
79 RZM 0.4 0.695652
80 GPM GLC 0.4 0.733333
81 BGC GAL GLA 0.4 0.942857
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC; Similar ligands found: 10
No: Ligand Similarity coefficient
1 LAG 0.9370
2 XYP GLC GLC 0.9331
3 GLC DAF 0.9325
4 GLC AC1 0.9214
5 XYS GLC GLC 0.9182
6 LM2 0.9162
7 SOR GLC GLC 0.8879
8 BMA BMA BMA 0.8877
9 GLC BGC BGC 0.8707
10 GAL GAL GAL 0.8638
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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