Receptor
PDB id Resolution Class Description Source Keywords
1FQA 1.9 Å NON-ENZYME: BINDING STRUCTURE OF MALTOTETRAITOL BOUND TO OPEN-FORM MALTODEXTRIN BINDING PROTEIN IN P2(1)CRYSTAL FORM ESCHERICHIA COLI SUGAR-BINDING PROTEIN MALTOTETRAITOL SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF THE MALTODEXTRIN/MALTOSE-BINDING PROTEIN COMPLEXED WITH REDUCED OLIGOSACCHARIDES: FLEXIBILITY 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
SOR GLC GLC GLC B:1;
Valid;
none;
submit data
668.595 n/a O(C(C...
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 544 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 (99)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 420 families.
1 3VD8 - GLC GLC GLC GLC n/a n/a
2 6ANV - GLC GLC GLC GLC n/a n/a
3 3JYR Kd = 248 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 6QYO - GLC GLC n/a n/a
59 6QZ7 - JLE C25 H22 N4 O2 S CCc1c(c2c(....
60 6QXJ - GLC GLC n/a n/a
61 4WMX Kd = 14.1 uM 3R7 C15 H13 N O4 S C=Cc1ccc(c....
62 4WMV ic50 = 93 uM 3R4 C9 H4 Cl F O2 S c1cc2c(cc1....
63 4WMW - 3R6 C8 H8 O3 S CSc1ccc(c(....
64 4WMS - GLC GLC n/a n/a
65 6QYL - JLE C25 H22 N4 O2 S CCc1c(c2c(....
66 6QYN - GLC GLC n/a n/a
67 5LOF Kd = 0.19 nM 70R C39 H37 Cl F4 N6 O6 S Cc1c(ccc(c....
68 4WMU Kd = 0.18 uM 19H C20 H19 Cl2 N O3 Cc1cc(cc(c....
69 6QYK - GLC GLC n/a n/a
70 6QGD - J1N C17 H17 N3 O3 S CCc1c(c2c(....
71 5OSQ - GLC GLC n/a n/a
72 3D4G - GLC GLC n/a n/a
73 4WTH - GLC GLC n/a n/a
74 4YS9 - GLC GLC n/a n/a
75 4MY2 - GLC GLC n/a n/a
76 4KYC - GLC GLC n/a n/a
77 1HSJ - GLC GLC n/a n/a
78 5HZ7 - BGC C6 H12 O6 C([C@@H]1[....
79 3H4Z - GLC GLC n/a n/a
80 5WPZ - GLC GLC n/a n/a
81 5WQ6 - GLC GLC n/a n/a
82 5H7Q - GLC GLC n/a n/a
83 3OAI - GLC GLC n/a n/a
84 5TTD - GLC GLC GLC n/a n/a
85 4KYD - GLC GLC n/a n/a
86 5JST - GLC GLC n/a n/a
87 2XZ3 - GLC GLC n/a n/a
88 3N94 - GLC GLC n/a n/a
89 4XZS - GLC GLC n/a n/a
90 5H7N - GLC GLC GLC GLC n/a n/a
91 4PE2 - GLC GLC n/a n/a
92 4TSM - GLC GLC GLC GLC n/a n/a
93 4IKM - GLC GLC n/a n/a
94 1Y4C - GLC GLC n/a n/a
95 5C7R - GLC GLC GLC n/a n/a
96 5DFM - GLC GLC n/a n/a
97 4IRL - GLC GLC GLC GLC n/a n/a
98 1MG1 - GLC GLC n/a n/a
99 5AZ7 - GLC GLC n/a n/a
50% Homology Family (108)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 3VD8 - GLC GLC GLC GLC n/a n/a
2 6ANV - GLC GLC GLC GLC n/a n/a
3 3JYR Kd = 248 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 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 ic50 = 93 uM 3R4 C9 H4 Cl F O2 S c1cc2c(cc1....
64 4WMW - 3R6 C8 H8 O3 S CSc1ccc(c(....
65 4WMS - GLC GLC n/a n/a
66 6QYL - JLE C25 H22 N4 O2 S CCc1c(c2c(....
67 6QYN - GLC GLC n/a n/a
68 5LOF Kd = 0.19 nM 70R C39 H37 Cl F4 N6 O6 S Cc1c(ccc(c....
69 4WMU Kd = 0.18 uM 19H C20 H19 Cl2 N O3 Cc1cc(cc(c....
70 6QYK - GLC GLC n/a n/a
71 6QGD - J1N C17 H17 N3 O3 S CCc1c(c2c(....
72 5OSQ - GLC GLC n/a n/a
73 3D4G - GLC GLC n/a n/a
74 4WVH - GLC GLC n/a n/a
75 4WVG - 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 3DM0 - GLC GLC n/a n/a
87 3OAI - GLC GLC n/a n/a
88 5TTD - GLC GLC GLC n/a n/a
89 4KYD - GLC GLC n/a n/a
90 5JST - GLC GLC n/a n/a
91 2XZ3 - GLC GLC n/a n/a
92 3N94 - GLC GLC n/a n/a
93 4QVH - FLC C6 H5 O7 C(C(=O)[O-....
94 4XZS - GLC GLC n/a n/a
95 5H7N - GLC GLC GLC GLC n/a n/a
96 4PE2 - GLC GLC n/a n/a
97 3O3U - GLC GLC GLC n/a n/a
98 4TSM - GLC GLC GLC GLC n/a n/a
99 4IKM - GLC GLC n/a n/a
100 1Y4C - GLC GLC n/a n/a
101 5T05 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
102 5T0A - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
103 5T03 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
104 5C7R - GLC GLC GLC n/a n/a
105 5DFM - GLC GLC n/a n/a
106 4IRL - GLC GLC GLC GLC n/a n/a
107 1MG1 - GLC GLC n/a n/a
108 5AZ7 - GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SOR GLC GLC GLC; Similar ligands found: 117
No: Ligand ECFP6 Tc MDL keys Tc
1 SOR GLC GLC GLC 1 1
2 GLO GLC GLC GLC 1 1
3 SOR GLC GLC 0.965517 1
4 GLO GLC GLC 0.73913 0.971429
5 GLC GLO 0.683333 0.911765
6 LAT GLA 0.590164 0.970588
7 BGC BGC GLC 0.545455 0.970588
8 BGC GLC GLC GLC 0.545455 0.970588
9 MAN BMA BMA 0.545455 0.970588
10 MAN BMA BMA BMA BMA BMA 0.545455 0.970588
11 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.545455 0.970588
12 BMA BMA BMA BMA BMA 0.545455 0.970588
13 GLC GLC GLC GLC GLC 0.545455 0.970588
14 BGC BGC BGC BGC 0.545455 0.970588
15 MTT 0.545455 0.970588
16 GLC BGC BGC 0.545455 0.970588
17 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.545455 0.970588
18 BGC BGC BGC GLC 0.545455 0.970588
19 MLR 0.545455 0.970588
20 CT3 0.545455 0.970588
21 CE8 0.545455 0.970588
22 GLC BGC BGC BGC BGC BGC 0.545455 0.970588
23 MT7 0.545455 0.970588
24 CE6 0.545455 0.970588
25 BGC GLC GLC GLC GLC GLC GLC 0.545455 0.970588
26 BMA MAN BMA 0.545455 0.970588
27 GLA GAL BGC 0.545455 0.970588
28 MAN MAN BMA BMA BMA BMA 0.545455 0.970588
29 B4G 0.545455 0.970588
30 GLC BGC BGC BGC BGC 0.545455 0.970588
31 BGC BGC BGC 0.545455 0.970588
32 GLA GAL GLC 0.545455 0.970588
33 GLC GAL GAL 0.545455 0.970588
34 BGC GLC GLC GLC GLC 0.545455 0.970588
35 CTR 0.545455 0.970588
36 CEX 0.545455 0.970588
37 MAN BMA BMA BMA BMA 0.545455 0.970588
38 BMA BMA BMA 0.545455 0.970588
39 GLC BGC GLC 0.545455 0.970588
40 DXI 0.545455 0.970588
41 GLC BGC BGC BGC 0.545455 0.970588
42 CEY 0.545455 0.970588
43 CTT 0.545455 0.970588
44 CE5 0.545455 0.970588
45 GAL GAL GAL 0.545455 0.970588
46 BMA BMA BMA BMA BMA BMA 0.545455 0.970588
47 BGC GLC GLC 0.545455 0.970588
48 CEZ 0.521127 0.914286
49 DR5 0.515152 0.916667
50 MMA MAN 0.515152 0.916667
51 BGC GLO 0.507042 0.885714
52 GLA GAL BGC 5VQ 0.5 0.868421
53 GAL GCO 0.5 0.888889
54 BGC BGC BGC FRU 0.493333 0.894737
55 GLA EGA 0.492754 0.916667
56 MAL EDO 0.485714 0.971429
57 BGC GAL 0.484848 0.970588
58 N9S 0.484848 0.970588
59 B2G 0.484848 0.970588
60 BMA BMA 0.484848 0.970588
61 CBI 0.484848 0.970588
62 GLC GAL 0.484848 0.970588
63 LBT 0.484848 0.970588
64 GAL BGC 0.484848 0.970588
65 MAB 0.484848 0.970588
66 BGC BMA 0.484848 0.970588
67 MAL 0.484848 0.970588
68 CBK 0.484848 0.970588
69 LAT 0.484848 0.970588
70 BMA GAL 0.484848 0.970588
71 G2F BGC BGC BGC BGC BGC 0.48 0.846154
72 BGC BGC BGC BGC BGC BGC BGC BGC 0.48 0.970588
73 GLA GAL GLC NBU 0.48 0.825
74 BMA BMA GLA BMA BMA 0.468354 0.970588
75 BMA BMA BMA GLA BMA 0.468354 0.970588
76 GLC GLC XYP 0.467532 0.970588
77 G3I 0.467532 0.790698
78 G2I 0.467532 0.790698
79 OXZ BGC BGC 0.467532 0.708333
80 GLO BGC BGC XYS BGC XYS XYS 0.458333 0.944444
81 GLC GLC XYS 0.455696 0.942857
82 LAG 0.45 0.618182
83 GLC GLC GLC BGC 0.4375 0.970588
84 BQZ 0.4375 0.882353
85 U63 0.43662 0.868421
86 MVP 0.432432 0.755556
87 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.431818 0.971429
88 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.431818 0.971429
89 BGC BGC BGC XYS BGC BGC 0.431818 0.971429
90 LMU 0.43038 0.767442
91 DMU 0.43038 0.767442
92 UMQ 0.43038 0.767442
93 LMT 0.43038 0.767442
94 RCB 0.428571 0.611111
95 GLA GAL GAL 0.426667 0.970588
96 BMA MAN 0.426471 0.970588
97 2M4 0.426471 0.970588
98 BGC GLC 0.426471 0.970588
99 4MU BGC BGC BGC BGC 0.422222 0.75
100 GLA GLA 0.42029 0.970588
101 GLA GAL 0.42029 0.970588
102 LB2 0.42029 0.970588
103 MAN GLC 0.42029 0.970588
104 GLC BGC 0.42029 0.970588
105 NGR 0.42029 0.970588
106 M3M 0.42029 0.970588
107 GLC GLC 0.42029 0.970588
108 BMA BMA MAN GLA GLA 0.417722 0.970588
109 6UZ 0.414634 0.825
110 ABD 0.411111 0.733333
111 4MU BGC BGC 0.411111 0.75
112 TRE 0.409836 0.970588
113 CM5 0.406977 0.868421
114 GLA MBG 0.405797 0.916667
115 NPJ 0.404762 0.611111
116 BGC BGC 0.402778 0.942857
117 MA4 0.402299 0.868421
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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