Receptor
PDB id Resolution Class Description Source Keywords
1MOS 2 Å EC: 2.6.1.16 ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEX AMINO-2-DEOXYGLUCITOL 6-PHOSPHATE ESCHERICHIA COLI GLUTAMINE AMIDOTRANSFERASE TRANSFERASE AMINOTRANSFERASE
Ref.: THE MECHANISM OF SUGAR PHOSPHATE ISOMERIZATION BY GLUCOSAMINE 6-PHOSPHATE SYNTHASE. PROTEIN SCI. V. 8 596 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AGP A:609;
 Valid;
 none;
 submit data
261.167 C6 H16 N O8 P C([C@...
MES A:610;
 Invalid;
 none;
 submit data
195.237 C6 H13 N O4 S C1COC...
NA A:614;
 Invalid;
 none;
 submit data
22.99 Na [Na+]
SO4 A:611;
A:612;
A:613;
 Invalid;
Invalid;
Invalid;
 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
1MOQ 1.57 Å EC: 2.6.1.16 ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEX GLUCOSAMINE 6-PHOSPHATE ESCHERICHIA COLI GLUTAMINE AMIDOTRANSFERASE
Ref.: INVOLVEMENT OF THE C TERMINUS IN INTRAMOLECULAR NIT CHANNELING IN GLUCOSAMINE 6-PHOSPHATE SYNTHASE: EVI FROM A 1.6 A CRYSTAL STRUCTURE OF THE ISOMERASE DOM STRUCTURE V. 6 1047 1998
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1MOQ Ki = 0.35 mM GLP C6 H14 N O8 P C([C@@H]1[....
2 1MOS - AGP C6 H16 N O8 P C([C@@H]([....
3 1MOR - G6P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1MOQ Ki = 0.35 mM GLP C6 H14 N O8 P C([C@@H]1[....
2 1MOS - AGP C6 H16 N O8 P C([C@@H]([....
3 1MOR - G6P C6 H13 O9 P C([C@@H]1[....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2POC - BG6 C6 H13 O9 P C([C@@H]1[....
2 2PUV - M6R C6 H16 N O8 P C([C@H]([C....
3 2PUT - F6R C6 H13 O9 P C([C@H]([C....
4 1MOQ Ki = 0.35 mM GLP C6 H14 N O8 P C([C@@H]1[....
5 1MOS - AGP C6 H16 N O8 P C([C@@H]([....
6 1MOR - G6P C6 H13 O9 P C([C@@H]1[....
7 4AMV - F6R C6 H13 O9 P C([C@H]([C....
8 2J6H - G6Q C6 H13 O9 P C([C@H]([C....
9 6SVO - GLU C5 H9 N O4 C(CC(=O)O)....
10 6R4F - G6Q C6 H13 O9 P C([C@H]([C....
11 6R4E - GLU C5 H9 N O4 C(CC(=O)O)....
12 6R4H - GLU C5 H9 N O4 C(CC(=O)O)....
13 2ZJ3 - G6P C6 H13 O9 P C([C@@H]1[....
14 2ZJ4 - AGP C6 H16 N O8 P C([C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AGP; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 M6R 1 1
2 AGP 1 1
3 M2P 0.666667 0.761905
4 GOS 0.666667 0.761905
5 S6P 0.621622 0.804878
6 DX5 0.552632 0.785714
7 LXP 0.552632 0.785714
8 A5P 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 TX4 0.47619 0.770833
16 DG6 0.47619 0.767442
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 PSE 0.435897 0.853659
30 LRY 0.431373 0.787234
31 2FP 0.425532 0.744186
32 PAN 0.425532 0.74
33 P6F 0.425532 0.744186
34 P6T 0.425532 0.744186
35 G3P 0.421053 0.756098
36 1GP 0.421053 0.756098
37 1NT 0.415094 0.704545
38 E4P 0.414634 0.674419
39 5SP 0.4 0.75
40 HMS 0.4 0.75
41 52L 0.4 0.72
42 5RP 0.4 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: AGP; Similar ligands found: 84
No: Ligand Similarity coefficient
1 D6P 0.9191
2 VFM 0.9091
3 IPE 0.9018
4 PAU 0.9007
5 RES 0.9002
6 AZM 0.8994
7 M28 0.8988
8 DED 0.8987
9 G6P 0.8981
10 D8X 0.8955
11 MZM 0.8940
12 3LJ 0.8920
13 GLP 0.8885
14 1VQ 0.8853
15 HSA 0.8850
16 CXA 0.8842
17 IPR 0.8836
18 I58 0.8835
19 S8G 0.8835
20 BG6 0.8835
21 BGP 0.8826
22 PMV 0.8818
23 M3L 0.8810
24 3CX 0.8789
25 VFJ 0.8786
26 8V8 0.8770
27 DER 0.8767
28 NFZ 0.8765
29 VFG 0.8756
30 IPL 0.8754
31 CT0 0.8753
32 EFF 0.8750
33 GHQ 0.8744
34 DI9 0.8743
35 PTB 0.8739
36 J5B 0.8729
37 D1Y 0.8719
38 AJ1 0.8716
39 6C5 0.8715
40 49P 0.8708
41 EUH 0.8706
42 0QA 0.8703
43 BVS 0.8694
44 MRU 0.8691
45 NK5 0.8687
46 KAP 0.8684
47 GGG 0.8680
48 EQA 0.8679
49 PTR 0.8677
50 657 0.8676
51 0K7 0.8674
52 DMA 0.8672
53 2J3 0.8668
54 TBJ 0.8657
55 3VR 0.8654
56 IBP 0.8653
57 R8Y 0.8645
58 JGY 0.8640
59 6FG 0.8640
60 EPE 0.8638
61 YI6 0.8634
62 5TO 0.8632
63 HWH 0.8627
64 6MW 0.8626
65 0O3 0.8624
66 DEZ 0.8623
67 BGT 0.8622
68 5LD 0.8621
69 RGP 0.8617
70 UN3 0.8609
71 S7P 0.8608
72 BSA 0.8603
73 HMZ 0.8600
74 G1P 0.8599
75 PHQ ALA 0.8597
76 P93 0.8596
77 IGP 0.8578
78 EP1 0.8578
79 HPF 0.8573
80 CPM 0.8572
81 DG2 0.8571
82 FZ0 0.8555
83 6FR 0.8530
84 ARG 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MOQ; Ligand: GLP; 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: 1moq.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1MOQ; Ligand: GLP; 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: 1moq.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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