Receptor
PDB id Resolution Class Description Source Keywords
4Q0P 1.93 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF ACINETOBACTER SP. DL28 L-RIBOSE ISOMERA COMPLEX WITH L-RIBOSE ACINETOBACTER CUPIN BARREL ISOMERASE SUGAR BINDING
Ref.: X-RAY STRUCTURE OF A NOVEL L-RIBOSE ISOMERASE ACTIN NON-NATURAL SUGAR L-RIBOSE AS ITS IDEAL SUBSTRATE FEBS J. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
Z6J A:504;
A:503;
Invalid;
Invalid;
none;
none;
submit data
150.13 C5 H10 O5 C([C@...
NCO A:506;
Invalid;
none;
submit data
161.116 Co H18 N6 [NH3]...
CO A:501;
Part of Protein;
none;
submit data
58.933 Co [Co+2...
0MK A:502;
A:505;
Valid;
Invalid;
none;
none;
submit data
150.13 C5 H10 O5 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Q0P 1.93 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF ACINETOBACTER SP. DL28 L-RIBOSE ISOMERA COMPLEX WITH L-RIBOSE ACINETOBACTER CUPIN BARREL ISOMERASE SUGAR BINDING
Ref.: X-RAY STRUCTURE OF A NOVEL L-RIBOSE ISOMERASE ACTIN NON-NATURAL SUGAR L-RIBOSE AS ITS IDEAL SUBSTRATE FEBS J. 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4Q0Q - RUU C5 H10 O5 C1[C@@H]([....
2 4Q0P - 0MK C5 H10 O5 C1[C@@H]([....
3 4Q0V - QDK C5 H10 O5 C([C@@H]([....
4 4Q0S - RB0 C5 H12 O5 C([C@H](C(....
5 4Q0U - ROR C5 H10 O5 C([C@@H]([....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 3WW4 - WOO C6 H12 O6 C([C@H]1[C....
2 3WW2 - SF9 C6 H12 O6 C([C@H]1[C....
3 3WW1 - 0MK C5 H10 O5 C1[C@@H]([....
4 4Q0Q - RUU C5 H10 O5 C1[C@@H]([....
5 4Q0P - 0MK C5 H10 O5 C1[C@@H]([....
6 4Q0V - QDK C5 H10 O5 C([C@@H]([....
7 4Q0S - RB0 C5 H12 O5 C([C@H](C(....
8 4Q0U - ROR C5 H10 O5 C([C@@H]([....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3WW4 - WOO C6 H12 O6 C([C@H]1[C....
2 3WW2 - SF9 C6 H12 O6 C([C@H]1[C....
3 3WW1 - 0MK C5 H10 O5 C1[C@@H]([....
4 4Q0Q - RUU C5 H10 O5 C1[C@@H]([....
5 4Q0P - 0MK C5 H10 O5 C1[C@@H]([....
6 4Q0V - QDK C5 H10 O5 C([C@@H]([....
7 4Q0S - RB0 C5 H12 O5 C([C@H](C(....
8 4Q0U - ROR C5 H10 O5 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0MK; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 ARA 1 1
2 XYS 1 1
3 ARB 1 1
4 XYP 1 1
5 RIP 1 1
6 LXC 1 1
7 HSY 1 1
8 0MK 1 1
9 XYS XYP 0.414634 0.84375
10 BXP 0.414634 0.84375
11 XYP XYS 0.414634 0.84375
12 FU4 0.4 0.896552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
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