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(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 5 families.
1 1MOQ Ki = 0.35 mM GLP C6 H14 N O8 P C(C1C(C(C(....
2 1MOR - G6P C6 H13 O9 P C(C1C(C(C(....
3 1MOS - AGP C6 H16 N O8 P C(C(C(C(C(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1MOQ Ki = 0.35 mM GLP C6 H14 N O8 P C(C1C(C(C(....
2 1MOR - G6P C6 H13 O9 P C(C1C(C(C(....
3 1MOS - AGP C6 H16 N O8 P C(C(C(C(C(....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4AMV - F6R C6 H13 O9 P C(C(C(C(C(....
2 2J6H - G6Q C6 H13 O9 P C(C(C(C(C(....
3 2POC - BG6 C6 H13 O9 P C(C1C(C(C(....
4 2PUV - M6R C6 H16 N O8 P C(C(C(C(C(....
5 2PUT - F6R C6 H13 O9 P C(C(C(C(C(....
6 2ZJ4 - AGP C6 H16 N O8 P C(C(C(C(C(....
7 2ZJ3 - G6P C6 H13 O9 P C(C1C(C(C(....
8 1MOQ Ki = 0.35 mM GLP C6 H14 N O8 P C(C1C(C(C(....
9 1MOR - G6P C6 H13 O9 P C(C1C(C(C(....
10 1MOS - AGP C6 H16 N O8 P C(C(C(C(C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AGP; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 AGP 1 1
2 M6R 1 1
3 M2P 0.666667 0.761905
4 S6P 0.621622 0.804878
5 DX5 0.552632 0.785714
6 A5P 0.552632 0.785714
7 LXP 0.552632 0.785714
8 G6Q 0.52381 0.72093
9 LX1 0.512821 0.72093
10 LG6 0.511628 0.704545
11 6PG 0.511628 0.704545
12 KD0 0.478261 0.704545
13 R5P 0.47619 0.72093
14 TX4 0.47619 0.770833
15 R52 0.47619 0.72093
16 DG6 0.47619 0.767442
17 PA5 0.465116 0.704545
18 R10 0.465116 0.704545
19 H4P 0.458333 0.844444
20 PAI 0.45098 0.75
21 TG6 0.444444 0.767442
22 F6R 0.444444 0.767442
23 4TP 0.44186 0.863636
24 LRY 0.431373 0.787234
25 2FP 0.425532 0.744186
26 PAN 0.425532 0.74
27 P6T 0.425532 0.744186
28 P6F 0.425532 0.744186
29 G3P 0.421053 0.756098
30 1GP 0.421053 0.756098
31 1NT 0.415094 0.704545
32 E4P 0.414634 0.674419
33 HMS 0.4 0.75
34 5SP 0.4 0.75
35 5RP 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MOQ; Ligand: GLP; Similar sites found: 49
This union binding pocket(no: 1) in the query (biounit: 1moq.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1X9I G6Q 0.000001421 0.5887
2 2O2C G6Q 0.0000009701 0.58033
3 2O2C G6Q 0.000001076 0.57831
4 4IVN BMX 0.000001563 0.56379
5 1KOJ PAN 0.00000329 0.54579
6 2CXS F6P 0.000004191 0.51566
7 2XBL M7P 0.0005041 0.45853
8 3FAS GLU 0.002507 0.45395
9 1T10 F6P 0.003235 0.44999
10 1YP1 LYS ASN LEU 0.003098 0.44681
11 2RC8 DSN 0.004004 0.44484
12 3LN9 FLC 0.00667 0.44415
13 1C7R PA5 0.003475 0.43405
14 1C7R PA5 0.003475 0.43405
15 4F2O QUS 0.003006 0.42793
16 4F2O QUS 0.003006 0.42793
17 3L8H FX1 0.01466 0.42626
18 3QXM NDZ 0.004204 0.42552
19 3OEN GLU 0.00546 0.42458
20 1R55 097 0.007252 0.42316
21 4LZJ 22H 0.0003716 0.41916
22 1DNP MHF 0.01662 0.4185
23 1YRO UDP 0.02069 0.41799
24 1DNP MHF 0.01868 0.4155
25 1YRO UDP 0.0235 0.41495
26 4AIG FLX 0.0088 0.41456
27 4L8F MTX 0.01485 0.41454
28 4JWX 1N4 0.01342 0.41438
29 4JWX 1N4 0.01342 0.41438
30 1X92 M7P 0.0008998 0.41405
31 4LZJ 22H 0.000528 0.41363
32 2V3U DSN 0.01393 0.41314
33 2OG2 MLI 0.009542 0.41079
34 2F5X ASP 0.01653 0.40976
35 1TLL FMN 0.006171 0.40955
36 3KV4 OGA 0.01855 0.40891
37 2CUN 3PG 0.02891 0.40771
38 1DCP HBI 0.02711 0.40754
39 4IP7 FBP 0.007176 0.40674
40 2F5X ASP 0.01965 0.4059
41 4MRP GSH 0.02126 0.40402
42 1H5R G1P 0.01224 0.40362
43 2Y7I ARG 0.01491 0.40346
44 4N65 FMN 0.01239 0.40325
45 3WMX THR 0.0461 0.40292
46 1WZU MLT 0.02344 0.40197
47 4G8N G8M 0.0113 0.40146
48 3WMX THR 0.03153 0.40121
49 4B2D FBP 0.00953 0.40119
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