Receptor
PDB id Resolution Class Description Source Keywords
2NZU 2.5 Å NON-ENZYME: OTHER STRUCTURAL MECHANISM FOR THE FINE-TUNING OF CCPA FUNCTION BY MOLECULE EFFECTORS G6P AND FBP BACILLUS MEGATERIUM CCPA CCR HPR-SER46-P GLUCOSE-6-PHOSPHATE ADJUNCT COREPRELACI-GALR TRANSCRIPTION
Ref.: STRUCTURAL MECHANISM FOR THE FINE-TUNING OF CCPA FU THE SMALL MOLECULE EFFECTORS GLUCOSE 6-PHOSPHATE AN FRUCTOSE 1,6-BISPHOSPHATE. J.MOL.BIOL. V. 368 1042 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BG6 G:1092;
Valid;
none;
submit data
260.136 C6 H13 O9 P C([C@...
SO4 G:1093;
G:466;
G:945;
G:946;
G:966;
G:977;
G:995;
L:975;
L:978;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2NZU 2.5 Å NON-ENZYME: OTHER STRUCTURAL MECHANISM FOR THE FINE-TUNING OF CCPA FUNCTION BY MOLECULE EFFECTORS G6P AND FBP BACILLUS MEGATERIUM CCPA CCR HPR-SER46-P GLUCOSE-6-PHOSPHATE ADJUNCT COREPRELACI-GALR TRANSCRIPTION
Ref.: STRUCTURAL MECHANISM FOR THE FINE-TUNING OF CCPA FU THE SMALL MOLECULE EFFECTORS GLUCOSE 6-PHOSPHATE AN FRUCTOSE 1,6-BISPHOSPHATE. J.MOL.BIOL. V. 368 1042 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 2NZU - BG6 C6 H13 O9 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 2NZU - BG6 C6 H13 O9 P C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 2NZU - BG6 C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BG6; Similar ligands found: 56
No: Ligand ECFP6 Tc MDL keys Tc
1 G6P 1 1
2 BG6 1 1
3 BGP 1 1
4 M6D 1 1
5 A6P 1 1
6 M6P 1 1
7 ABF 0.8 0.902439
8 HSX 0.8 0.902439
9 RP5 0.8 0.902439
10 AHG 0.621622 0.795455
11 4R1 0.590909 0.829787
12 GLP 0.590909 0.829787
13 50A 0.571429 0.8
14 RF5 0.571429 0.8
15 BMX 0.55102 0.75
16 4QY 0.55102 0.75
17 16G 0.55102 0.75
18 EMZ 0.55 0.636364
19 GRF 0.547619 0.692308
20 NNG 0.530612 0.75
21 XYT 0.527273 0.906977
22 1FT 0.517857 0.847826
23 FDQ 0.511111 0.777778
24 PRP 0.5 0.880952
25 RI2 0.5 0.857143
26 G16 0.5 0.951219
27 T6P 0.470588 0.906977
28 D6G 0.468085 0.951219
29 P3M 0.466667 0.906977
30 GAL 0.461538 0.675
31 GXL 0.461538 0.675
32 BGC 0.461538 0.675
33 MAN 0.461538 0.675
34 GLA 0.461538 0.675
35 GIV 0.461538 0.675
36 ALL 0.461538 0.675
37 GLC 0.461538 0.675
38 WOO 0.461538 0.675
39 BMA 0.461538 0.675
40 GAL GLC 0.45098 0.674419
41 MAN MAN 0.45098 0.674419
42 GLA BGC 0.45098 0.674419
43 GLA GLC 0.45098 0.674419
44 BGC GLA 0.45098 0.674419
45 MLB 0.45098 0.674419
46 GAL GAL 0.45098 0.674419
47 LAK 0.45098 0.674419
48 GLA BMA 0.45098 0.674419
49 MAN BMA 0.45098 0.674419
50 BMA GLA 0.45098 0.674419
51 N 0.444444 0.777778
52 PPC 0.442308 0.822222
53 BMA MAN MAN 0.433962 0.674419
54 GLC GLC GLC GLC GLC BGC 0.433962 0.674419
55 GLC GLC GLC GLC BGC 0.433962 0.674419
56 QIF 0.4 0.951219
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2NZU; Ligand: BG6; 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: 2nzu.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2NZU; Ligand: BG6; 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: 2nzu.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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