Receptor
PDB id Resolution Class Description Source Keywords
4R75 1.28 Å NON-ENZYME: TRANSPORT STRUCTURE OF THE PERIPLASMIC BINDING PROTEIN AFUA FROM ACTIN PLEUROPNEUMONIAE (EXOGENOUS SEDOHEPTULOSE-7-PHOSPHATE BOUND ACTINOBACILLUS PLEUROPNEUMONIAE ABC TRANSPORTER SUGAR TRANSPORTER GLUCOSE-6-PHOSPHATE FRUPHOSPHATE SEDOHEPTULOSE-7-PHOSPHATE TRANSPORT PROTEIN
Ref.: ACTIVE TRANSPORT OF PHOSPHORYLATED CARBOHYDRATES PR INTESTINAL COLONIZATION AND TRANSMISSION OF A BACTE PATHOGEN. PLOS PATHOG. V. 11 05107 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PGE A:405;
 Invalid;
 none;
 submit data
150.173 C6 H14 O4 C(COC...
S7P A:401;
 Valid;
 none;
 Kd = 57 nM
290.162 C7 H15 O10 P C([C@...
GOL A:403;
A:404;
A:402;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4R74 1.93 Å NON-ENZYME: TRANSPORT STRUCTURE OF THE PERIPLASMIC BINDING PROTEIN AFUA FROM ACTIN PLEUROPNEUMONIAE (EXOGENOUS FRUCTOSE-6-PHOSPHATE BOUND) ACTINOBACILLUS PLEUROPNEUMONIAE ABC TRANSPORTER SUGAR TRANSPORTER GLUCOSE-6-PHOSPHATE FRUPHOSPHATE SEDOHEPTULOSE-7-PHOSPHATE TRANSPORT PROTEIN
Ref.: ACTIVE TRANSPORT OF PHOSPHORYLATED CARBOHYDRATES PR INTESTINAL COLONIZATION AND TRANSMISSION OF A BACTE PATHOGEN. PLOS PATHOG. V. 11 05107 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 4R75 Kd = 57 nM S7P C7 H15 O10 P C([C@H]([C....
2 4R73 Kd = 23 nM G6P C6 H13 O9 P C([C@@H]1[....
3 4R74 Kd = 8 nM F6P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 4R75 Kd = 57 nM S7P C7 H15 O10 P C([C@H]([C....
2 4R73 Kd = 23 nM G6P C6 H13 O9 P C([C@@H]1[....
3 4R74 Kd = 8 nM F6P C6 H13 O9 P C([C@@H]1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 4R75 Kd = 57 nM S7P C7 H15 O10 P C([C@H]([C....
2 4R73 Kd = 23 nM G6P C6 H13 O9 P C([C@@H]1[....
3 4R74 Kd = 8 nM F6P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: S7P; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 S7P 1 1
2 OI7 0.74 0.953488
3 TA6 0.444444 0.976744
4 F6P 0.444444 0.976744
5 M7P 0.421053 0.863636
Similar Ligands (3D)
Ligand no: 1; Ligand: S7P; Similar ligands found: 57
No: Ligand Similarity coefficient
1 MUX 0.8858
2 STV 0.8855
3 S8G 0.8848
4 S7D 0.8814
5 6PG 0.8789
6 5WN 0.8786
7 G6P 0.8783
8 KLV 0.8780
9 C9M 0.8770
10 Q5M 0.8756
11 GJK 0.8753
12 DT7 0.8745
13 PE2 0.8745
14 EYA 0.8718
15 M6D 0.8717
16 H35 0.8715
17 BG6 0.8712
18 JVD 0.8700
19 5WS 0.8693
20 D9Z 0.8691
21 4ZF 0.8689
22 372 0.8687
23 IPL 0.8686
24 NAL 0.8677
25 EYM 0.8674
26 NFZ 0.8673
27 YE6 0.8673
28 HMZ 0.8663
29 AZY 0.8661
30 ZEA 0.8658
31 34L 0.8651
32 G30 0.8649
33 CX4 0.8644
34 1HR 0.8636
35 SU9 0.8633
36 KYN 0.8630
37 ZIP 0.8629
38 N7I 0.8628
39 F1X 0.8626
40 JGY 0.8622
41 MVJ 0.8610
42 IOP 0.8609
43 AGP 0.8608
44 UQ1 0.8607
45 GA2 0.8605
46 EYY 0.8601
47 ZEZ 0.8591
48 KU1 0.8588
49 EMU 0.8580
50 SYY 0.8573
51 47V 0.8567
52 LRW 0.8561
53 5WM 0.8555
54 108 0.8546
55 22T 0.8543
56 UN9 0.8538
57 52F 0.8535
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4R74; Ligand: F6P; 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: 4r74.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4R74; Ligand: F6P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4r74.bio4) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4R74; Ligand: F6P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4r74.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4R74; Ligand: F6P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4r74.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback