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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 1443 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 1205 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 1039 families.
1 2NZU - BG6 C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BG6; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 M6D 1 1
2 BG6 1 1
3 G6P 1 1
4 A6P 1 1
5 BGP 1 1
6 M6P 1 1
7 RP5 0.8 0.902439
8 ABF 0.8 0.902439
9 HSX 0.8 0.902439
10 AHG 0.621622 0.795455
11 GLP 0.590909 0.829787
12 4R1 0.590909 0.829787
13 50A 0.571429 0.8
14 RF5 0.571429 0.8
15 16G 0.55102 0.75
16 4QY 0.55102 0.75
17 BMX 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 G16 0.5 0.951219
25 PRP 0.5 0.880952
26 RI2 0.5 0.857143
27 T6P 0.470588 0.906977
28 D6G 0.468085 0.951219
29 P3M 0.466667 0.906977
30 GIV 0.461538 0.675
31 GLC 0.461538 0.675
32 ALL 0.461538 0.675
33 GXL 0.461538 0.675
34 GAL 0.461538 0.675
35 BMA 0.461538 0.675
36 BGC 0.461538 0.675
37 WOO 0.461538 0.675
38 GLA 0.461538 0.675
39 MAN 0.461538 0.675
40 LAK 0.45098 0.674419
41 GLA BGC 0.45098 0.674419
42 MAN MAN 0.45098 0.674419
43 GLC GLC 0.45098 0.674419
44 BGC GLC 0.45098 0.674419
45 MAN BMA 0.45098 0.674419
46 GAL GLC 0.45098 0.674419
47 BMA MAN 0.45098 0.674419
48 BMA GLA 0.45098 0.674419
49 GLA GLC 0.45098 0.674419
50 GLC BGC 0.45098 0.674419
51 GLA BMA 0.45098 0.674419
52 MLB 0.45098 0.674419
53 BGC GLA 0.45098 0.674419
54 GAL GAL 0.45098 0.674419
55 N 0.444444 0.777778
56 PPC 0.442308 0.822222
57 GLC GLC GLC GLC GLC BGC 0.433962 0.674419
58 GLC GLC GLC 0.433962 0.674419
59 MAN MAN MAN 0.433962 0.674419
60 BMA MAN MAN 0.433962 0.674419
61 GLC GLC GLC GLC BGC 0.433962 0.674419
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: 66
This union binding pocket(no: 1) in the query (biounit: 2nzu.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2WPB ZZI 1.42857
2 3KN5 ANP 1.78571
3 2AOU CQA 2.5
4 1G1T SIA GAL MAG FUC 3.18471
5 4DBH OXL 3.21429
6 3E8N ATP 3.57143
7 3E8N VRA 3.57143
8 4WQQ MAN 4.25532
9 5H62 UDP 4.28571
10 2FXU ATP 4.54545
11 2IHU TP9 4.54545
12 2J0B UDP 5.35714
13 1SL6 GAL NDG FUC 5.43478
14 3MWS 017 5.68182
15 2UYT LRH 6.07143
16 2UYT ADP 6.07143
17 5EK3 5PK 6.07143
18 2F5X ASP 6.07143
19 6F5W KG1 6.42857
20 1R6T TYM 6.78571
21 4KM2 ATR 6.81818
22 4KM2 TOP 6.81818
23 3LDW ZOL 6.81818
24 3LDW IPE 6.81818
25 2P1C GG3 7.14286
26 2GBP BGC 7.14286
27 6HKE LMR 7.95455
28 6HKE MLT 7.95455
29 4BG1 IVL 7.95455
30 4BG1 OGA 7.95455
31 3GBR PRP 8.21429
32 2G5C NAD 8.21429
33 1W2Y DUN 9.09091
34 4D9C PMP 9.09091
35 4WB7 ATP 9.09091
36 6ADI 9UO 10
37 6FOG OXL 10.2273
38 4U0W 16G 10.2273
39 2RGO FAD 11.3636
40 1PG4 COA 11.3636
41 1PG4 PRX 11.3636
42 2GJN NIS 11.3636
43 3HJ1 UTP 11.3636
44 5BYK A3P 12.5
45 5BYK OAQ 12.5
46 3GGO ENO 12.5
47 3GGO NAI 12.5
48 2G50 PYR 12.5
49 5TIV A3P 13.6364
50 5KTQ DCP 13.6364
51 3PNL ADP 14.218
52 3CR3 ADP 14.5833
53 5FJJ MAN 14.7727
54 1HMU ASG GCD 15.3571
55 5JM8 ATP 15.9091
56 1I52 CTP 15.9091
57 3ITJ CIT 21.5909
58 3WBF API 23.8636
59 2MSB NAG BMA MAN MAN MAN MAN MAN 29.5652
60 4IRX INS 29.6429
61 5XSS XYP 30.7143
62 4XXH T6P 31.3725
63 1J0D 5PA 32.9545
64 5Z49 RUB 32.9545
65 2H3H BGC 36.7857
66 3O75 F1X 40.0735
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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