Receptor
PDB id Resolution Class Description Source Keywords
3HPI 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MALTOSE-BINDING PROTEIN MUTANT WITH BOU ESCHERICHIA COLI SUGAR BINDING PROTEIN PERIPLASMIC BINDING PROTEIN MBP SUGTRANSPORT TRANSPORT
Ref.: STUDIES OF THE MALTOSE TRANSPORT SYSTEM REVEAL A ME FOR COUPLING ATP HYDROLYSIS TO SUBSTRATE TRANSLOCAT WITHOUT DIRECT RECOGNITION OF SUBSTRATE. J.BIOL.CHEM. V. 285 11290 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:375;
B:376;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ZN A:372;
A:374;
B:371;
B:372;
B:373;
B:374;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
GLC FRU C:1;
D:1;
Valid;
Valid;
none;
none;
Kd = 6.6 uM
340.281 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 FRU; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC FRU 1 1
2 GLC FRU GLA 0.761905 0.972973
3 FRU GLC GLA 0.5 0.921053
4 GLC FRU GLA GLA GLA 0.492958 0.921053
5 GLC FRU GLA GLA 0.492958 0.921053
6 GLC FRU FRU FRU 0.492958 0.921053
7 ZEE UEA FRU FRU FRU 0.492958 0.921053
8 GLC FRU FRU 0.457143 0.921053
9 ARA TT7 4GL 0.445783 0.744681
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC FRU; Similar ligands found: 23
No: Ligand Similarity coefficient
1 GLC Z9N 0.9697
2 MAN MAN 0.9233
3 FRU FRU 0.9109
4 MMA MAN 0.9053
5 RRY RRJ 0.9023
6 BDF GLC 0.9009
7 FRU GLC 0.8988
8 TW7 GLC 0.8931
9 GLC GLC 0.8902
10 GLA GLC 0.8842
11 ADA AQA 0.8838
12 GLC IFM 0.8831
13 4UO 0.8776
14 GLC 7LQ 0.8767
15 GAL GLA 0.8744
16 ADA ADA 0.8733
17 GLC DMJ 0.8705
18 B1T 0.8679
19 9E3 0.8670
20 GLA GLA 0.8647
21 RR7 GLC 0.8636
22 4P8 0.8619
23 CQW 0.8506
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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