Receptor
PDB id Resolution Class Description Source Keywords
1NE7 1.75 Å EC: 3.5.99.6 HUMAN GLUCOSAMINE-6-PHOSPHATE DEAMINASE ISOMERASE AT 1.75 A RESOLUTION COMPLEXED WITH N-ACETYL-GLUCOSAMINE-6-PHOSPHATE A ND 2-DEOXY-2-AMINO-GLUCITOL-6-PHOSPHATE HOMO SAPIENS V-TYPE LIKE ALLOSTERIC ENZYME CONFORMATIONAL DISORDER CONFORMATIONAL DIFFERENCES HYDROLASE
Ref.: TWO MAMMALIAN GLUCOSAMINE-6-PHOSPHATE DEAMINASES: A STRUCTURAL AND GENETIC STUDY. FEBS LETT. V. 551 63 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
16G A:4299;
B:2299;
C:3299;
D:7299;
E:5299;
F:6299;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
301.188 C8 H16 N O9 P CC(=O...
AGP A:2298;
B:3298;
C:4298;
D:5298;
E:6298;
F:7298;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
261.167 C6 H16 N O8 P C([C@...
GLC A:294;
A:295;
B:294;
B:295;
C:294;
C:295;
D:294;
D:295;
E:294;
E:295;
F:294;
F:295;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
SO4 A:2296;
B:3296;
C:4296;
C:4297;
D:5296;
E:6296;
F:7296;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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
1NE7 1.75 Å EC: 3.5.99.6 HUMAN GLUCOSAMINE-6-PHOSPHATE DEAMINASE ISOMERASE AT 1.75 A RESOLUTION COMPLEXED WITH N-ACETYL-GLUCOSAMINE-6-PHOSPHATE A ND 2-DEOXY-2-AMINO-GLUCITOL-6-PHOSPHATE HOMO SAPIENS V-TYPE LIKE ALLOSTERIC ENZYME CONFORMATIONAL DISORDER CONFORMATIONAL DIFFERENCES HYDROLASE
Ref.: TWO MAMMALIAN GLUCOSAMINE-6-PHOSPHATE DEAMINASES: A STRUCTURAL AND GENETIC STUDY. FEBS LETT. V. 551 63 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1NE7 - AGP C6 H16 N O8 P C([C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1NE7 - AGP C6 H16 N O8 P C([C@@H]([....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BKX - F6R C6 H13 O9 P C([C@H]([C....
2 2BKV - PGA C2 H5 O6 P C(C(=O)O)O....
3 1HOR - AGP C6 H16 N O8 P C([C@@H]([....
4 1FRZ - 16G C8 H16 N O9 P CC(=O)N[C@....
5 1FQO - F6R C6 H13 O9 P C([C@H]([C....
6 1HOT - 16G C8 H16 N O9 P CC(=O)N[C@....
7 1FS5 - TLA C4 H6 O6 [C@@H]([C@....
8 1NE7 - AGP C6 H16 N O8 P C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 16G; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 16G 1 1
2 4QY 1 1
3 BMX 1 1
4 NGS 0.611111 0.803279
5 NNG 0.603774 0.890909
6 BM3 0.591837 0.735849
7 A2G 0.591837 0.735849
8 NDG 0.591837 0.735849
9 HSQ 0.591837 0.735849
10 NGA 0.591837 0.735849
11 NAG 0.591837 0.735849
12 ABF 0.553191 0.685185
13 HSX 0.553191 0.685185
14 RP5 0.553191 0.685185
15 BGP 0.55102 0.75
16 A6P 0.55102 0.75
17 M6D 0.55102 0.75
18 M6P 0.55102 0.75
19 G6P 0.55102 0.75
20 BG6 0.55102 0.75
21 4R1 0.509434 0.867925
22 GLP 0.509434 0.867925
23 AHG 0.489362 0.642857
24 50A 0.461538 0.62069
25 RF5 0.461538 0.62069
26 FDQ 0.444444 0.631579
27 GRF 0.442308 0.836364
28 FGR 0.4375 0.786885
29 RI2 0.436364 0.685185
30 NG1 0.42623 0.981132
31 GN1 0.42623 0.981132
32 ASG 0.419355 0.774194
33 G6S NAG 0.418919 0.727273
34 T6P 0.416667 0.696429
35 G16 0.413793 0.754717
36 CBS CBS 0.411765 0.724138
37 NDG NAG 0.411765 0.724138
38 CBS 0.411765 0.724138
39 NAG A2G 0.411765 0.724138
40 NAG GDL 0.411765 0.724138
41 NAG NGA 0.411765 0.724138
42 D6G 0.410714 0.722222
43 NDG GAL 0.409091 0.732143
44 NLC 0.409091 0.732143
45 GAL NDG 0.409091 0.732143
46 XYT 0.402985 0.696429
Ligand no: 2; Ligand: AGP; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 AGP 1 1
2 M6R 1 1
3 GOS 0.666667 0.761905
4 M2P 0.666667 0.761905
5 S6P 0.621622 0.804878
6 A5P 0.552632 0.785714
7 LXP 0.552632 0.785714
8 DX5 0.552632 0.785714
9 G6Q 0.52381 0.72093
10 LX1 0.512821 0.72093
11 LG6 0.511628 0.704545
12 6PG 0.511628 0.704545
13 I22 0.488889 0.767442
14 KD0 0.478261 0.704545
15 DG6 0.47619 0.767442
16 TX4 0.47619 0.770833
17 R5P 0.47619 0.72093
18 R52 0.47619 0.72093
19 HG3 0.472222 0.690476
20 FQ8 0.466667 0.767442
21 PA5 0.465116 0.704545
22 R10 0.465116 0.704545
23 H4P 0.458333 0.844444
24 PAI 0.45098 0.75
25 9C2 0.446809 0.76
26 TG6 0.444444 0.767442
27 F6R 0.444444 0.767442
28 4TP 0.44186 0.863636
29 LRY 0.431373 0.787234
30 P6F 0.425532 0.744186
31 P6T 0.425532 0.744186
32 PAN 0.425532 0.74
33 2FP 0.425532 0.744186
34 G3P 0.421053 0.756098
35 1GP 0.421053 0.756098
36 1NT 0.415094 0.704545
37 E4P 0.414634 0.674419
38 5SP 0.4 0.75
39 52L 0.4 0.72
40 HMS 0.4 0.75
41 5RP 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NE7; Ligand: 16G; 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: 1ne7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1NE7; Ligand: AGP; 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: 1ne7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1NE7; Ligand: 16G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1ne7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1NE7; Ligand: 16G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1ne7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1NE7; Ligand: 16G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1ne7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1NE7; Ligand: AGP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1ne7.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1NE7; Ligand: AGP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1ne7.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1NE7; Ligand: AGP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1ne7.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1NE7; Ligand: 16G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1ne7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1NE7; Ligand: AGP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1ne7.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1NE7; Ligand: AGP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1ne7.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1NE7; Ligand: 16G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1ne7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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