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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: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 G16 1 1
2 RI2 0.666667 0.860465
3 PRP 0.588235 0.883721
4 PPC 0.588235 0.826087
5 T6P 0.588235 0.866667
6 AHG 0.534884 0.8
7 G1P 0.5 0.928571
8 ABF 0.5 0.860465
9 GL1 0.5 0.928571
10 XGP 0.5 0.928571
11 RP5 0.5 0.860465
12 M6P 0.5 0.951219
13 HSX 0.5 0.860465
14 BG6 0.5 0.951219
15 M1P 0.5 0.928571
16 BGP 0.5 0.951219
17 M6D 0.5 0.951219
18 A6P 0.5 0.951219
19 G6P 0.5 0.951219
20 GRF 0.479167 0.666667
21 XYT 0.47541 0.866667
22 MGF G6P 0.454545 0.791667
23 FDQ 0.45098 0.782609
24 P3M 0.446154 0.866667
25 50A 0.44 0.765957
26 RF5 0.44 0.765957
27 R1P 0.4375 0.840909
28 GLP 0.433962 0.795918
29 4R1 0.433962 0.795918
30 D6G 0.415094 0.906977
31 BMX 0.413793 0.754717
32 4QY 0.413793 0.754717
33 16G 0.413793 0.754717
34 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 with APoc: 11
This union binding pocket(no: 1) in the query (biounit: 2fkf.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3FC4 EDO 1.51515
2 5DZ2 212 2.66272
3 3AJ4 SEP 3.57143
4 5XQL C2E 4.12371
5 4CQK PIO 4.25532
6 1FUR MLT 4.329
7 6B4H IHP 6.84932
8 6ACS CIT 7.75194
9 5LXT ACP 9.31264
10 4C12 ADP 10.3896
11 6BJ0 G6P 33.1169
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