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Receptor
PDB id Resolution Class Description Source Keywords
2ZJ3 1.9 Å EC: 2.6.1.16 ISOMERASE DOMAIN OF HUMAN GLUCOSE:FRUCTOSE-6-PHOSPHATE AMIDOTRANSFERASE HOMO SAPIENS GLUCOSAMINE-6-PHOSPHATE SYNTHASE ALDOSE/KETOSE ISOMERASE CRYSTAL STRUCTURE ROSSMANN-LIKE FOLD TRANSFERASE ALTERNATIVE SPLICING AMINOTRANSFERASE GLUTAMINE AMIDOTRANSFERASE PHOSPHOPROTEIN
Ref.: STRUCTURAL ANALYSIS OF HUMAN GLUTAMINE:FRUCTOSE-6-PHOSPHATE AMIDOTRANSFERASE, A KEY REGULATOR IN TYPE 2 DIABETES FEBS LETT. V. 583 163 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G6P A:1;
Valid;
none;
submit data
260.136 C6 H13 O9 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZJ3 1.9 Å EC: 2.6.1.16 ISOMERASE DOMAIN OF HUMAN GLUCOSE:FRUCTOSE-6-PHOSPHATE AMIDOTRANSFERASE HOMO SAPIENS GLUCOSAMINE-6-PHOSPHATE SYNTHASE ALDOSE/KETOSE ISOMERASE CRYSTAL STRUCTURE ROSSMANN-LIKE FOLD TRANSFERASE ALTERNATIVE SPLICING AMINOTRANSFERASE GLUTAMINE AMIDOTRANSFERASE PHOSPHOPROTEIN
Ref.: STRUCTURAL ANALYSIS OF HUMAN GLUTAMINE:FRUCTOSE-6-PHOSPHATE AMIDOTRANSFERASE, A KEY REGULATOR IN TYPE 2 DIABETES FEBS LETT. V. 583 163 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2ZJ3 - G6P C6 H13 O9 P C([C@@H]1[....
2 2ZJ4 - AGP C6 H16 N O8 P C([C@@H]([....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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 2ZJ3 - G6P C6 H13 O9 P C([C@@H]1[....
5 2ZJ4 - AGP C6 H16 N O8 P C([C@@H]([....
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 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 2ZJ3 - G6P C6 H13 O9 P C([C@@H]1[....
10 2ZJ4 - AGP C6 H16 N O8 P C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G6P; 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 : 2ZJ3; Ligand: G6P; Similar sites found with APoc: 96
This union binding pocket(no: 1) in the query (biounit: 2zj3.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC NBU None
2 5MB4 NAG 1.06667
3 5MB4 NDG 1.06667
4 3VPD CIT 1.06762
5 4UP4 GAL NAG 1.33333
6 4UP4 NAG 1.33333
7 4UP4 NDG 1.33333
8 6GHJ PHE ALA GLN 1.33333
9 6A4R ASP 1.50943
10 4FRZ ADP 1.6
11 5OSW DIU 1.6
12 5FA6 FMN 1.6
13 5FA6 NAP 1.6
14 5FA6 FAD 1.6
15 3D9F FAD 1.6
16 3D9F N6C 1.6
17 3KV4 OGA 1.6
18 3ITJ FAD 1.77515
19 4WOH 4NP 1.80723
20 1C7R PA5 1.86667
21 1H82 FAD 1.86667
22 1H82 GZZ 1.86667
23 5DT6 GLU 1.87266
24 2RC8 DSN 2.04082
25 5O4F 8VE 2.32558
26 2RCA GLY 2.39726
27 4TQK NAG 2.4
28 1TLL FMN 2.4
29 4H2D FMN 2.42424
30 1X92 M7P 2.51256
31 2HIM ASN 2.51397
32 4LY9 1YY 2.66667
33 4LY9 S6P 2.66667
34 3FC4 EDO 2.66667
35 5CMK LY5 2.7027
36 4RL4 PPV 2.83019
37 4RDL FUC GAL NDG FUC 2.92208
38 4WXJ GLU 2.97398
39 3A4M ADP 3.07692
40 3OEN GLU 3.14685
41 2O2C G6Q 3.2
42 1KOJ PAN 3.2
43 6AM8 TRP 3.2
44 2ZZV LAC 3.3241
45 5GVR LMR 3.4188
46 6HKE LMR 3.45912
47 6HKE MLT 3.45912
48 1T10 F6P 3.46667
49 4YKI GLY 3.51562
50 5DEX GLY 3.53357
51 4JWX 1N4 3.57143
52 4RF7 ARG 3.73333
53 5AHO TLA 3.86905
54 4F2Q QUS 3.87597
55 5IKB KAI 3.89105
56 3L8H FX1 3.91061
57 2I6U NVA 4.23453
58 4URS C2E 4.25532
59 5KOD IAC 4.26667
60 4TVD BGC 4.26667
61 1CT9 GLN 4.53333
62 5IN3 G1P 4.53333
63 1SQS TLA 4.54545
64 6BYF CIT 4.70588
65 5EHS 2JJ 4.85075
66 5EHS 5OY 4.85075
67 4UTG ANP 4.91329
68 3F81 STT 4.91803
69 2B99 RDL 5.12821
70 3WMX THR 5.30726
71 4B2D FBP 5.33333
72 1B0U ATP 5.34351
73 5ZI9 FLC 5.38462
74 2GL0 ADN 5.38922
75 3LN9 FLC 5.7554
76 1DCP HBI 5.76923
77 4BHL ARG 5.89888
78 1X9I G6Q 5.96026
79 2Q89 6CS 6.22568
80 2JFN GLU 6.31579
81 5HRA DAS 6.38298
82 4DD8 BAT 6.73077
83 4L8F MTX 6.93333
84 5V8E CIT 7.11974
85 2CUN 3PG 7.2
86 2VVL FAD 7.2
87 6H1U ASP 7.31707
88 2AJH MET 7.65306
89 4RDN 6MD 7.78443
90 3F6R FMN 8.10811
91 5LU5 M7P 9.64467
92 3IP8 B85 10.4839
93 3HUJ AGH 13.0081
94 4IVN BMX 13.3094
95 4LZJ 22H 13.5314
96 2CXS F6P 14.1333
Pocket No.: 2; Query (leader) PDB : 2ZJ3; Ligand: G6P; 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: 2zj3.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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