Receptor
PDB id Resolution Class Description Source Keywords
3WW2 2 Å EC: 5.-.-.- X-RAY STRUCTURES OF CELLULOMONAS PARAHOMINIS L-RIBOSE ISOMER L-PSICOSE CELLULOMONAS PARAHOMINIS CUPIN-TYPE BETA-BARREL ISOMERASE
Ref.: ESSENTIALITY OF TETRAMER FORMATION OF CELLULOMONAS PARAHOMINIS L-RIBOSE ISOMERASE INVOLVED IN NOVEL L-METABOLIC PATHWAY. APPL.MICROBIOL.BIOTECHNOL. 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN B:401;
A:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
SF9 B:403;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
SF6 A:402;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
LPK B:402;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WW2 2 Å EC: 5.-.-.- X-RAY STRUCTURES OF CELLULOMONAS PARAHOMINIS L-RIBOSE ISOMER L-PSICOSE CELLULOMONAS PARAHOMINIS CUPIN-TYPE BETA-BARREL ISOMERASE
Ref.: ESSENTIALITY OF TETRAMER FORMATION OF CELLULOMONAS PARAHOMINIS L-RIBOSE ISOMERASE INVOLVED IN NOVEL L-METABOLIC PATHWAY. APPL.MICROBIOL.BIOTECHNOL. 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 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]([....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 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 3 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: SF9; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LFR 1 1
2 SF6 1 1
3 FRU 1 1
4 SF9 1 1
5 PSV 1 1
6 F6P 0.564103 0.744186
7 TA6 0.564103 0.744186
8 LBS 0.511111 0.888889
9 F1X 0.487805 0.744186
10 LRH 0.484848 0.882353
11 0UB 0.479167 0.888889
12 FRU FRU 0.466667 0.888889
Ligand no: 2; Ligand: SF6; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LFR 1 1
2 SF6 1 1
3 FRU 1 1
4 SF9 1 1
5 PSV 1 1
6 F6P 0.564103 0.744186
7 TA6 0.564103 0.744186
8 LBS 0.511111 0.888889
9 F1X 0.487805 0.744186
10 LRH 0.484848 0.882353
11 0UB 0.479167 0.888889
12 FRU FRU 0.466667 0.888889
Ligand no: 3; Ligand: LPK; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 PSJ 1 1
2 SOL 1 1
3 TAG 1 1
4 LPK 1 1
5 SDD 1 1
6 FUD 1 1
7 RBL 0.551724 0.956522
8 XUL 0.551724 0.956522
9 QDK 0.551724 0.956522
10 TG6 0.5 0.628571
11 F6R 0.5 0.628571
12 3MF 0.432432 0.846154
13 5FX 0.424242 0.88
14 LER 0.413793 0.956522
15 CS2 0.411765 0.913043
16 GCO 0.411765 0.913043
17 I22 0.404762 0.628571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WW2; Ligand: SF6; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3ww2.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3WW2; Ligand: LPK; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3ww2.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3WW2; Ligand: SF9; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3ww2.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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