Receptor
PDB id Resolution Class Description Source Keywords
3CTL 2.2 Å EC: 5.1.3.- CRYSTAL STRUCTURE OF D-ALLULOSE 6-PHOSPHATE 3-EPIMERASE FROM ESCHERICHIA COLI K12 COMPLEXED WITH D-GLUCITOL 6- P HOSPHATE AND MAGNESIUM ESCHERICHIA COLI D-ALLULOSE 6-PHOSPHATE 3-EPIMERASE D-GLUCITOL 6-PHOSPHATE (BETA/ALPHA)8 BARREL CARBOHYDRATE METABOLISM ISOMERASE
Ref.: STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY IN PHOSPHATE BINDING (BETA/ALPHA)8-BARRELS: D-ALLULOSE 6-PHOSPHATE 3-EPIMERASE FROM ESCHERICHIA COLI K-12. BIOCHEMISTRY V. 47 9608 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:601;
B:602;
C:603;
D:604;
E:605;
F:606;
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
24.305 Mg [Mg+2...
S6P A:501;
B:502;
C:503;
D:504;
E:505;
F:506;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
262.152 C6 H15 O9 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CTL 2.2 Å EC: 5.1.3.- CRYSTAL STRUCTURE OF D-ALLULOSE 6-PHOSPHATE 3-EPIMERASE FROM ESCHERICHIA COLI K12 COMPLEXED WITH D-GLUCITOL 6- P HOSPHATE AND MAGNESIUM ESCHERICHIA COLI D-ALLULOSE 6-PHOSPHATE 3-EPIMERASE D-GLUCITOL 6-PHOSPHATE (BETA/ALPHA)8 BARREL CARBOHYDRATE METABOLISM ISOMERASE
Ref.: STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY IN PHOSPHATE BINDING (BETA/ALPHA)8-BARRELS: D-ALLULOSE 6-PHOSPHATE 3-EPIMERASE FROM ESCHERICHIA COLI K-12. BIOCHEMISTRY V. 47 9608 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3CTL - S6P C6 H15 O9 P C([C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3CTL - S6P C6 H15 O9 P C([C@@H]([....
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 3CTL - S6P C6 H15 O9 P C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: S6P; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 S6P 1 1
2 M2P 0.821429 0.941176
3 GOS 0.821429 0.941176
4 LXP 0.71875 0.970588
5 A5P 0.71875 0.970588
6 DX5 0.71875 0.970588
7 G6Q 0.621622 0.885714
8 AGP 0.621622 0.804878
9 M6R 0.621622 0.804878
10 FQ8 0.589744 0.942857
11 LX1 0.571429 0.885714
12 6PG 0.564103 0.861111
13 LG6 0.564103 0.861111
14 KD0 0.560976 0.861111
15 I22 0.536585 0.942857
16 H4P 0.534884 0.785714
17 HG3 0.53125 0.852941
18 R5P 0.526316 0.885714
19 TX4 0.526316 0.673913
20 R52 0.526316 0.885714
21 DG6 0.526316 0.942857
22 PA5 0.512821 0.861111
23 R10 0.512821 0.861111
24 PAI 0.489362 0.727273
25 TG6 0.487805 0.942857
26 F6R 0.487805 0.942857
27 1NT 0.479167 0.861111
28 1GP 0.470588 0.939394
29 G3P 0.470588 0.939394
30 LRY 0.468085 0.688889
31 2FP 0.465116 0.914286
32 P6T 0.465116 0.914286
33 P6F 0.465116 0.914286
34 PAN 0.465116 0.645833
35 MTL 0.464286 0.636364
36 SOR 0.464286 0.636364
37 E4P 0.459459 0.828571
38 9C2 0.454545 0.632653
39 5SP 0.439024 0.916667
40 HMS 0.439024 0.916667
41 5RP 0.439024 0.916667
42 DER 0.435897 0.861111
43 DEZ 0.435897 0.861111
44 52L 0.434783 0.659574
45 DXP 0.425 0.783784
46 4TP 0.414634 0.72093
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CTL; Ligand: S6P; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3ctl.bio4) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3OVR 5SP 49.5614
Pocket No.: 2; Query (leader) PDB : 3CTL; Ligand: S6P; 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: 3ctl.bio4) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3CTL; Ligand: S6P; 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: 3ctl.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3CTL; Ligand: S6P; 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: 3ctl.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3CTL; Ligand: S6P; 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: 3ctl.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3CTL; Ligand: S6P; 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: 3ctl.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3CTL; Ligand: S6P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3ctl.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3CTL; Ligand: S6P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3ctl.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3CTL; Ligand: S6P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3ctl.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3CTL; Ligand: S6P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3ctl.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3CTL; Ligand: S6P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3ctl.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3CTL; Ligand: S6P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3ctl.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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