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Receptor
PDB id Resolution Class Description Source Keywords
1C7R 2.5 Å EC: 5.3.1.9 THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE/AUTOCRINE FACTOR/NEUROLEUKIN COMPLEXED WITH ITS CARBOHYDRATE PHOSPHATI NHIBITORS AND ITS SUBSTRATE RECOGNITION MECHANISM GEOBACILLUS STEAROTHERMOPHILUS PHOSPHOGLUCOSE ISOMERASE/AUTOCRINE MOTILITY FACTOR/ NEUROLEUISOMERASE
Ref.: THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE/A MOTILITY FACTOR/NEUROLEUKIN COMPLEXED WITH ITS CARB PHOSPHATE INHIBITORS SUGGESTS ITS SUBSTRATE/RECEPTO RECOGNITION. J.BIOL.CHEM. V. 275 23154 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PA5 A:500;
Valid;
none;
submit data
246.109 C5 H11 O9 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1C7R 2.5 Å EC: 5.3.1.9 THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE/AUTOCRINE FACTOR/NEUROLEUKIN COMPLEXED WITH ITS CARBOHYDRATE PHOSPHATI NHIBITORS AND ITS SUBSTRATE RECOGNITION MECHANISM GEOBACILLUS STEAROTHERMOPHILUS PHOSPHOGLUCOSE ISOMERASE/AUTOCRINE MOTILITY FACTOR/ NEUROLEUISOMERASE
Ref.: THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE/A MOTILITY FACTOR/NEUROLEUKIN COMPLEXED WITH ITS CARB PHOSPHATE INHIBITORS SUGGESTS ITS SUBSTRATE/RECEPTO RECOGNITION. J.BIOL.CHEM. V. 275 23154 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1C7R - PA5 C5 H11 O9 P C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1C7R - PA5 C5 H11 O9 P C([C@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1C7R - PA5 C5 H11 O9 P C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PA5; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 PA5 1 1
2 R10 1 1
3 LG6 0.72973 1
4 6PG 0.72973 1
5 TG6 0.641026 0.916667
6 F6R 0.641026 0.916667
7 DEZ 0.638889 1
8 DER 0.638889 1
9 P6F 0.609756 0.942857
10 2FP 0.609756 0.942857
11 P6T 0.609756 0.942857
12 PAN 0.609756 0.702128
13 9C2 0.595238 0.6875
14 GOS 0.588235 0.914286
15 M2P 0.588235 0.914286
16 KD0 0.55814 1
17 I22 0.534884 0.916667
18 DX5 0.526316 0.837838
19 LXP 0.526316 0.837838
20 LX1 0.526316 0.861111
21 A5P 0.526316 0.837838
22 4TP 0.525 0.829268
23 S6P 0.512821 0.861111
24 HMS 0.512195 0.891892
25 5SP 0.512195 0.891892
26 5RP 0.512195 0.891892
27 52L 0.5 0.755556
28 G6Q 0.5 0.970588
29 DXP 0.5 0.861111
30 R5P 0.487805 0.970588
31 R52 0.487805 0.970588
32 TX4 0.487805 0.659574
33 DG6 0.487805 0.815789
34 3PG 0.486486 0.941176
35 HG3 0.485714 0.882353
36 DG2 0.475 0.911765
37 RUB 0.465116 0.888889
38 XBP 0.465116 0.888889
39 RES 0.465116 0.702128
40 M6R 0.465116 0.704545
41 AGP 0.465116 0.704545
42 1NT 0.45098 1
43 FQ8 0.444444 0.864865
44 LRY 0.44 0.75
45 H4P 0.4375 0.727273
46 SEP 0.425 0.707317
47 E4P 0.425 0.911765
48 22H 0.413793 0.693878
49 CAP 0.408163 0.918919
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1C7R; Ligand: PA5; Similar sites found with APoc: 22
This union binding pocket(no: 1) in the query (biounit: 1c7r.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2POC BG6 1.08992
2 4TQK NAG 1.72414
3 4IVN BMX 1.79856
4 2ZJ3 G6P 1.86667
5 2EB5 OXL 1.87266
6 4XFR CIT 2.34192
7 4AMV F6R 2.47191
8 6F97 FAD 2.92135
9 6AMI TRP 4.0404
10 6AM8 PLT 4.0404
11 1MOQ GLP 4.61957
12 4LZJ 22H 4.62046
13 2CFC KPC 5.6
14 6GNC FAD 7.82313
15 2RHW C0E 8.48057
16 4C5N ACP 9.42029
17 3K0T BGC 11.8881
18 2GUD MAN 12.2951
19 2NUO BGC 12.2951
20 2NU5 NAG 12.2951
21 2GUC MAN 12.2951
22 2HYR BGC GLC 12.2951
Pocket No.: 2; Query (leader) PDB : 1C7R; Ligand: PA5; 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: 1c7r.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1C7R; Ligand: PA5; 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: 1c7r.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1C7R; Ligand: PA5; 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: 1c7r.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1C7R; Ligand: PA5; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1c7r.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1C7R; Ligand: PA5; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1c7r.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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