Receptor
PDB id Resolution Class Description Source Keywords
1FQC 2.3 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MALTOTRIOTOL BOUND TO CLOSED-FORM MALTODEXTRIN BINDING PROTEIN ESCHERICHIA COLI SUGAR-BINDING PROTEIN MALTOTRIOTOL 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
GLO GLC GLC B:1;
Valid;
none;
submit data
504.438 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 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: GLO GLC GLC; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 GLO GLC GLC 1 1
2 SOR GLC GLC 0.761194 0.971429
3 GLO GLC GLC GLC 0.73913 0.971429
4 SOR GLC GLC GLC 0.73913 0.971429
5 BGC GLO 0.734375 0.914286
6 GLO BGC BGC XYS BGC XYS XYS 0.582418 0.972222
7 GLC GLO 0.521739 0.885714
8 LAT GLA 0.507463 0.942857
9 CEZ 0.493333 0.942857
10 GAL GCO 0.493333 0.916667
11 DR5 0.485714 0.891892
12 MMA MAN 0.485714 0.891892
13 BGC GLC GLC GLC 0.472222 0.942857
14 MAN BMA BMA 0.472222 0.942857
15 BGC GLC GLC GLC GLC GLC GLC 0.472222 0.942857
16 B4G 0.472222 0.942857
17 CT3 0.472222 0.942857
18 MAN MAN BMA BMA BMA BMA 0.472222 0.942857
19 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.472222 0.942857
20 MT7 0.472222 0.942857
21 CE8 0.472222 0.942857
22 BMA MAN BMA 0.472222 0.942857
23 GLA GAL BGC 0.472222 0.942857
24 BGC BGC GLC 0.472222 0.942857
25 MLR 0.472222 0.942857
26 BGC BGC BGC GLC 0.472222 0.942857
27 GLC BGC BGC BGC BGC BGC 0.472222 0.942857
28 GLC BGC BGC BGC BGC 0.472222 0.942857
29 MAN BMA BMA BMA BMA BMA 0.472222 0.942857
30 GLC BGC BGC 0.472222 0.942857
31 CE6 0.472222 0.942857
32 CTT 0.472222 0.942857
33 GAL GAL GAL 0.472222 0.942857
34 BGC BGC BGC 0.472222 0.942857
35 GLC GAL GAL 0.472222 0.942857
36 CTR 0.472222 0.942857
37 BMA BMA BMA 0.472222 0.942857
38 DXI 0.472222 0.942857
39 BMA BMA BMA BMA BMA BMA 0.472222 0.942857
40 GLC BGC GLC 0.472222 0.942857
41 BGC GLC GLC 0.472222 0.942857
42 BGC GLC GLC GLC GLC 0.472222 0.942857
43 BMA BMA BMA BMA BMA 0.472222 0.942857
44 GLC BGC BGC BGC 0.472222 0.942857
45 BGC BGC BGC BGC 0.472222 0.942857
46 GLC GLC GLC GLC GLC 0.472222 0.942857
47 CEY 0.472222 0.942857
48 MTT 0.472222 0.942857
49 CE5 0.472222 0.942857
50 GLA GAL GLC 0.472222 0.942857
51 CEX 0.472222 0.942857
52 MAN BMA BMA BMA BMA 0.472222 0.942857
53 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.472222 0.942857
54 GLA EGA 0.465753 0.891892
55 MAL EDO 0.459459 0.944444
56 MAB 0.457143 0.942857
57 GLC GAL 0.457143 0.942857
58 LBT 0.457143 0.942857
59 LAT 0.457143 0.942857
60 N9S 0.457143 0.942857
61 BGC BMA 0.457143 0.942857
62 CBK 0.457143 0.942857
63 CBI 0.457143 0.942857
64 GAL BGC 0.457143 0.942857
65 BGC GAL 0.457143 0.942857
66 BMA GAL 0.457143 0.942857
67 BMA BMA 0.457143 0.942857
68 B2G 0.457143 0.942857
69 MAL 0.457143 0.942857
70 BGC BGC BGC BGC BGC BGC BGC BGC 0.4375 0.942857
71 GLA GAL BGC 5VQ 0.435897 0.846154
72 BQZ 0.432836 0.857143
73 BGC BGC BGC FRU 0.432099 0.871795
74 6UZ 0.428571 0.804878
75 MVP 0.428571 0.73913
76 LMU 0.426829 0.75
77 GLC GLC XYP 0.426829 0.942857
78 DMU 0.426829 0.75
79 LMT 0.426829 0.75
80 UMQ 0.426829 0.75
81 GLA GAL GAL 0.423077 0.942857
82 GLA GAL GLC NBU 0.419753 0.804878
83 G2F BGC BGC BGC BGC BGC 0.419753 0.825
84 LB2 0.416667 0.942857
85 MAN GLC 0.416667 0.942857
86 GLA GLA 0.416667 0.942857
87 M3M 0.416667 0.942857
88 GLA GAL 0.416667 0.942857
89 GLC BGC 0.416667 0.942857
90 NGR 0.416667 0.942857
91 GLC GLC 0.416667 0.942857
92 GLC GLC XYS 0.416667 0.971429
93 U63 0.413333 0.846154
94 OXZ BGC BGC 0.409639 0.693878
95 G2I 0.409639 0.772727
96 G3I 0.409639 0.772727
97 CM5 0.404494 0.846154
98 BMA MAN 0.402778 0.942857
99 BGC GLC 0.402778 0.942857
100 2M4 0.402778 0.942857
101 NPJ 0.402299 0.6
102 8VZ 0.4 0.68
103 MA4 0.4 0.846154
104 GAL NDG 0.4 0.73913
105 NLC 0.4 0.73913
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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