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 (26)
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[....
12 6NQG - GPM C7 H15 O8 P C([C@@H]1[....
13 6NNU - G16 C6 H13 O12 P2 C([C@@H]1[....
14 6NOL - M1P C6 H13 O9 P C([C@@H]1[....
15 6NNN - G1P C6 H13 O9 P C([C@@H]1[....
16 6NOQ - M1P C6 H13 O9 P C([C@@H]1[....
17 6N1E - QIF C7 H15 O9 P C[C@]1([C@....
18 6NNO - G1P C6 H13 O9 P C([C@@H]1[....
19 6NP8 - M6P C6 H13 O9 P C([C@@H]1[....
20 6NNS - G6P C6 H13 O9 P C([C@@H]1[....
21 6NNP - G6P C6 H13 O9 P C([C@@H]1[....
22 6MLH Ki = 213 uM GPM C7 H15 O8 P C([C@@H]1[....
23 6MLW Ki = 184 uM JVA C7 H14 F O7 P C([C@@H]1[....
24 6NNT - G16 C6 H13 O12 P2 C([C@@H]1[....
25 6MNV Ki = 428 uM JVS C7 H14 F O9 P C([C@@H]1[....
26 5BMP - G1P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G16; Similar ligands found: 35
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 AHG 0.534884 0.8
6 RP5 0.5 0.860465
7 M1P 0.5 0.928571
8 G1P 0.5 0.928571
9 HSX 0.5 0.860465
10 BG6 0.5 0.951219
11 M6D 0.5 0.951219
12 XGP 0.5 0.928571
13 A6P 0.5 0.951219
14 GL1 0.5 0.928571
15 G6P 0.5 0.951219
16 ABF 0.5 0.860465
17 M6P 0.5 0.951219
18 BGP 0.5 0.951219
19 GLC G6P 0.490909 0.844444
20 GRF 0.479167 0.666667
21 JV4 0.46 0.883721
22 MGF G6P 0.454545 0.791667
23 FDQ 0.45098 0.782609
24 RF5 0.44 0.765957
25 50A 0.44 0.765957
26 R1P 0.4375 0.840909
27 GLP 0.433962 0.795918
28 4R1 0.433962 0.795918
29 D6G 0.415094 0.906977
30 16G 0.413793 0.754717
31 BMX 0.413793 0.754717
32 4QY 0.413793 0.754717
33 MAN MAN M6P 0.405797 0.844444
34 BGC XGP 0.403226 0.844444
35 MAN IPD MAN 0.4 0.844444
Similar Ligands (3D)
Ligand no: 1; Ligand: G16; Similar ligands found: 26
No: Ligand Similarity coefficient
1 BG6 MGF 0.9834
2 G6P MGF 0.9809
3 IR8 0.9113
4 FBP 0.9071
5 34L 0.8838
6 74Z 0.8793
7 1CE 0.8787
8 U5A 0.8772
9 JYM 0.8767
10 GT1 0.8767
11 IR9 0.8735
12 GMB 0.8720
13 C1F 0.8701
14 0H5 0.8687
15 26K 0.8673
16 GAR 0.8665
17 695 0.8634
18 PDA 0.8634
19 0JO 0.8634
20 PLI 0.8634
21 GPM 0.8625
22 P1T 0.8621
23 C09 0.8579
24 ML2 0.8537
25 AIR 0.8530
26 WFY 0.8511
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2fkf.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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