Receptor
PDB id Resolution Class Description Source Keywords
2FKF 2 Å EC: 5.4.2.8 PHOSPHOMANNOMUTASE/PHOSPHOGLUCOMUTASE FROM PSEUDOMONAS AERUG ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE BOUND PSEUDOMONAS AERUGINOSA ALPHA/BETA PROTEIN PHOSPHOSERINE ENZYME-METAL COMPLEX ENZLIGAND COMPLEX ISOMERASE
Ref.: THE REACTION OF PHOSPHOHEXOMUTASE FROM PSEUDOMONAS AERUGINOSA: STRUCTURAL INSIGHTS INTO A SIMPLE PROCE ENZYME. J.BIOL.CHEM. V. 281 15564 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G16 A:465;
Valid;
none;
Kd = 1.2 mM
339.108 C6 H13 O12 P2 C([C@...
ZN A:500;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FKF 2 Å EC: 5.4.2.8 PHOSPHOMANNOMUTASE/PHOSPHOGLUCOMUTASE FROM PSEUDOMONAS AERUG ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE BOUND PSEUDOMONAS AERUGINOSA ALPHA/BETA PROTEIN PHOSPHOSERINE ENZYME-METAL COMPLEX ENZLIGAND COMPLEX ISOMERASE
Ref.: THE REACTION OF PHOSPHOHEXOMUTASE FROM PSEUDOMONAS AERUGINOSA: STRUCTURAL INSIGHTS INTO A SIMPLE PROCE ENZYME. J.BIOL.CHEM. V. 281 15564 2006
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2H5A - X1P C5 H11 O8 P C1[C@H]([C....
2 2FKM - G16 C6 H13 O12 P2 C([C@@H]1[....
3 2H4L - R1P C5 H11 O8 P C([C@@H]1[....
4 1P5D - G1P C6 H13 O9 P C([C@@H]1[....
5 1P5G - G6P C6 H13 O9 P C([C@@H]1[....
6 1PCM - M6P C6 H13 O9 P C([C@@H]1[....
7 4MRQ - TLA C4 H6 O6 [C@@H]([C@....
8 3BKQ - G1P C6 H13 O9 P C([C@@H]1[....
9 1K2Y - TLA C4 H6 O6 [C@@H]([C@....
10 1PCJ - M1P C6 H13 O9 P C([C@@H]1[....
11 2FKF Kd = 1.2 mM G16 C6 H13 O12 P2 C([C@@H]1[....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2H5A - X1P C5 H11 O8 P C1[C@H]([C....
2 2FKM - G16 C6 H13 O12 P2 C([C@@H]1[....
3 2H4L - R1P C5 H11 O8 P C([C@@H]1[....
4 1P5D - G1P C6 H13 O9 P C([C@@H]1[....
5 1P5G - G6P C6 H13 O9 P C([C@@H]1[....
6 1PCM - M6P C6 H13 O9 P C([C@@H]1[....
7 4MRQ - TLA C4 H6 O6 [C@@H]([C@....
8 3BKQ - G1P C6 H13 O9 P C([C@@H]1[....
9 1K2Y - TLA C4 H6 O6 [C@@H]([C@....
10 1PCJ - M1P C6 H13 O9 P C([C@@H]1[....
11 2FKF Kd = 1.2 mM G16 C6 H13 O12 P2 C([C@@H]1[....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2H5A - X1P C5 H11 O8 P C1[C@H]([C....
2 2FKM - G16 C6 H13 O12 P2 C([C@@H]1[....
3 2H4L - R1P C5 H11 O8 P C([C@@H]1[....
4 1P5D - G1P C6 H13 O9 P C([C@@H]1[....
5 1P5G - G6P C6 H13 O9 P C([C@@H]1[....
6 1PCM - M6P C6 H13 O9 P C([C@@H]1[....
7 4MRQ - TLA C4 H6 O6 [C@@H]([C@....
8 3BKQ - G1P C6 H13 O9 P C([C@@H]1[....
9 1K2Y - TLA C4 H6 O6 [C@@H]([C@....
10 1PCJ - M1P C6 H13 O9 P C([C@@H]1[....
11 2FKF Kd = 1.2 mM G16 C6 H13 O12 P2 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G16; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 G16 1 1
2 PPC 0.588235 0.826087
3 T6P 0.588235 0.866667
4 PRP 0.588235 0.883721
5 AHG 0.534884 0.8
6 M6P 0.5 0.951219
7 BG6 0.5 0.951219
8 M6D 0.5 0.951219
9 GL1 0.5 0.928571
10 HSX 0.5 0.860465
11 A6P 0.5 0.951219
12 ABF 0.5 0.860465
13 G1P 0.5 0.928571
14 RP5 0.5 0.860465
15 M1P 0.5 0.928571
16 BGP 0.5 0.951219
17 G6P 0.5 0.951219
18 XGP 0.5 0.928571
19 GRF 0.479167 0.666667
20 FDQ 0.45098 0.782609
21 P3M 0.446154 0.866667
22 RF5 0.44 0.765957
23 50A 0.44 0.765957
24 R1P 0.4375 0.840909
25 GLP 0.433962 0.795918
26 4R1 0.433962 0.795918
27 D6G 0.415094 0.906977
28 BMX 0.413793 0.754717
29 4QY 0.413793 0.754717
30 16G 0.413793 0.754717
31 SUP 0.409091 0.829787
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FKF; Ligand: G16; Similar sites found: 3
This union binding pocket(no: 1) in the query (biounit: 2fkf.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DZ2 212 0.02352 0.40514 2.66272
2 5XQL C2E 0.006301 0.40053 4.12371
3 4CQK PIO 0.009462 0.42019 4.25532
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