Receptor
PDB id Resolution Class Description Source Keywords
2FLI 1.8 Å EC: 5.1.3.- THE CRYSTAL STRUCTURE OF D-RIBULOSE 5-PHOSPHATE 3-EPIMERASE FROM STREPTOCOCUS PYOGENES COMPLEXED WITH D-XYLITOL 5- P HOSPHATE STREPTOCOCCUS PYOGENES D-RIBULOSE 5-PHOSPHATE 3-EPIMERASE (BETA/ALPHA)8-BARREL D-XYLITOL 5-PHOSPHATE ISOMERASE
Ref.: D-RIBULOSE 5-PHOSPHATE 3-EPIMERASE: FUNCTIONAL AND STRUCTURAL RELATIONSHIPS TO MEMBERS OF THE RIBULOSE-PHOSPHATE BINDING (BETA/ALPHA)(8)-BARREL SUPERFAMILY(,). BIOCHEMISTRY V. 45 2493 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DX5 A:1901;
B:1902;
C:1903;
D:1904;
E:1905;
F:1906;
G:1911;
H:1912;
I:1913;
J:1914;
K:1915;
L:1916;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
232.126 C5 H13 O8 P C([C@...
ZN A:1981;
B:1982;
C:1983;
D:1984;
E:1985;
F:1986;
G:1991;
H:1992;
I:1993;
J:1994;
K:1995;
L:1996;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FLI 1.8 Å EC: 5.1.3.- THE CRYSTAL STRUCTURE OF D-RIBULOSE 5-PHOSPHATE 3-EPIMERASE FROM STREPTOCOCUS PYOGENES COMPLEXED WITH D-XYLITOL 5- P HOSPHATE STREPTOCOCCUS PYOGENES D-RIBULOSE 5-PHOSPHATE 3-EPIMERASE (BETA/ALPHA)8-BARREL D-XYLITOL 5-PHOSPHATE ISOMERASE
Ref.: D-RIBULOSE 5-PHOSPHATE 3-EPIMERASE: FUNCTIONAL AND STRUCTURAL RELATIONSHIPS TO MEMBERS OF THE RIBULOSE-PHOSPHATE BINDING (BETA/ALPHA)(8)-BARREL SUPERFAMILY(,). BIOCHEMISTRY V. 45 2493 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2FLI - DX5 C5 H13 O8 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 2FLI - DX5 C5 H13 O8 P C([C@@H]([....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3OVQ - 5RP C5 H11 O8 P C([C@H]([C....
2 3OVR - 5SP C5 H11 O8 P C([C@H]([C....
3 2FLI - DX5 C5 H13 O8 P C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DX5; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 DX5 1 1
2 LXP 1 1
3 A5P 1 1
4 FQ8 0.794118 0.971429
5 S6P 0.71875 0.970588
6 M2P 0.666667 0.914286
7 GOS 0.666667 0.914286
8 DG6 0.628571 0.971429
9 LX1 0.588235 0.861111
10 M6R 0.552632 0.785714
11 AGP 0.552632 0.785714
12 HG3 0.548387 0.828571
13 R5P 0.540541 0.861111
14 TX4 0.540541 0.659574
15 R52 0.540541 0.861111
16 PA5 0.526316 0.837838
17 R10 0.526316 0.837838
18 G6Q 0.512821 0.861111
19 52L 0.511628 0.680851
20 F6R 0.5 0.916667
21 6PG 0.5 0.837838
22 LG6 0.5 0.837838
23 TG6 0.5 0.916667
24 1GP 0.484848 0.911765
25 G3P 0.484848 0.911765
26 P6T 0.47619 0.888889
27 2FP 0.47619 0.888889
28 P6F 0.47619 0.888889
29 I22 0.47619 0.916667
30 PAN 0.47619 0.632653
31 E4P 0.472222 0.805556
32 KD0 0.465116 0.837838
33 9C2 0.465116 0.62
34 5SP 0.45 0.944444
35 5RP 0.45 0.944444
36 HMS 0.45 0.944444
37 DEZ 0.447368 0.837838
38 DER 0.447368 0.837838
39 H4P 0.444444 0.767442
40 DXP 0.435897 0.763158
41 1NT 0.428571 0.837838
42 RB0 0.428571 0.647059
43 XYL 0.428571 0.647059
44 4TP 0.425 0.704545
45 LRY 0.416667 0.673913
46 PAI 0.408163 0.711111
47 RES 0.404762 0.632653
48 XBP 0.404762 0.888889
49 RUB 0.404762 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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