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 (9)
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]([....
9 2RI1 - GLP C6 H14 N O8 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 16G; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 BMX 1 1
2 16G 1 1
3 4QY 1 1
4 NGS 0.611111 0.803279
5 NNG 0.603774 0.890909
6 NGA 0.591837 0.735849
7 NDG 0.591837 0.735849
8 NAG 0.591837 0.735849
9 BM3 0.591837 0.735849
10 A2G 0.591837 0.735849
11 HSQ 0.591837 0.735849
12 RP5 0.553191 0.685185
13 HSX 0.553191 0.685185
14 ABF 0.553191 0.685185
15 M6P 0.55102 0.75
16 BGP 0.55102 0.75
17 G6P 0.55102 0.75
18 A6P 0.55102 0.75
19 M6D 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 GAL NGA A2G 0.449275 0.711864
27 FDQ 0.444444 0.631579
28 GRF 0.442308 0.836364
29 FGR 0.4375 0.786885
30 NG1 0.42623 0.981132
31 GN1 0.42623 0.981132
32 ASG 0.419355 0.774194
33 G6S NAG 0.418919 0.734375
34 T6P 0.416667 0.696429
35 G16 0.413793 0.754717
36 CBS 0.411765 0.724138
37 NAG GDL 0.411765 0.724138
38 NAG NDG 0.411765 0.724138
39 NAG NGA 0.411765 0.724138
40 NAG A2G 0.411765 0.724138
41 CBS CBS 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
Ligand no: 2; Ligand: AGP; Similar ligands found: 38
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 A5P 0.552632 0.785714
6 LXP 0.552632 0.785714
7 DX5 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 I22 0.488889 0.767442
13 KD0 0.478261 0.704545
14 TX4 0.47619 0.770833
15 R5P 0.47619 0.72093
16 R52 0.47619 0.72093
17 DG6 0.47619 0.767442
18 HG3 0.472222 0.690476
19 PA5 0.465116 0.704545
20 R10 0.465116 0.704545
21 H4P 0.458333 0.844444
22 PAI 0.45098 0.75
23 TG6 0.444444 0.767442
24 F6R 0.444444 0.767442
25 4TP 0.44186 0.863636
26 LRY 0.431373 0.787234
27 P6T 0.425532 0.744186
28 PAN 0.425532 0.74
29 P6F 0.425532 0.744186
30 2FP 0.425532 0.744186
31 1GP 0.421053 0.756098
32 G3P 0.421053 0.756098
33 1NT 0.415094 0.704545
34 E4P 0.414634 0.674419
35 5SP 0.4 0.75
36 HMS 0.4 0.75
37 52L 0.4 0.72
38 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: 62
This union binding pocket(no: 1) in the query (biounit: 1ne7.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3UEC ALA ARG TPO LYS 0.002752 0.44723 1.36986
2 1PNF NDG NAG 0.006593 0.41386 1.38408
3 5CCM SAM 0.04767 0.40876 1.38408
4 4XAQ 40F 0.01565 0.40061 1.7301
5 1NFQ NAI 0.01022 0.43812 1.92308
6 1DL5 SAH 0.01038 0.43134 2.07612
7 4WQM FAD 0.0158 0.41739 2.07612
8 5SWB NAG BMA MAN MAN MAN MAN 0.01943 0.41558 2.07612
9 3VCY UD1 0.02503 0.40544 2.07612
10 5K7K 6RJ 0.0309 0.40494 2.07612
11 2LBD REA 0.008439 0.43312 2.24719
12 5XDT MB3 0.01222 0.43511 2.42215
13 4JLZ UTP 0.01577 0.40602 2.42215
14 3BP1 GUN 0.01005 0.4011 2.42215
15 5GXU FAD 0.03764 0.40295 2.76817
16 3W2E NAD 0.002426 0.48081 2.95203
17 3W2E FAD 0.002426 0.48081 2.95203
18 3G2Y GF4 0.01897 0.40037 3.04183
19 3G35 F13 0.02941 0.40022 3.04183
20 4QLX KTC 0.04712 0.40331 3.19635
21 4QLX FMN 0.03379 0.40151 3.19635
22 1R55 097 0.005717 0.40884 3.27103
23 5LLT DND 0.0371 0.40682 3.28639
24 1FND A2P 0.00834 0.44518 3.46021
25 1QFY NAP 0.01092 0.44102 3.46021
26 1QFY FAD 0.01092 0.44102 3.46021
27 1GAW FAD 0.003598 0.43707 3.46021
28 3OZV FAD 0.02387 0.42894 3.46021
29 3OZV ECN 0.03671 0.42163 3.46021
30 1VHZ APR 0.005876 0.42094 3.53535
31 2PIA FMN 0.003869 0.44384 3.80623
32 1ATL 0QI 0.00689 0.43451 3.9604
33 2D37 NAD 0.01201 0.42935 3.97727
34 2D37 FMN 0.01132 0.42935 3.97727
35 4G1V FAD 0.01891 0.41889 4.15225
36 4YHB FAD 0.0144 0.42244 4.3956
37 3O5N BR0 0.0001441 0.50901 4.46429
38 5EOO CIT 0.01348 0.40112 4.5283
39 5IR4 ZPE 0.03544 0.41768 4.84429
40 4NM5 ADP 0.02863 0.40239 4.84429
41 2Y91 98J 0.00812 0.41311 4.90566
42 5O0X FAD 0.008669 0.41331 5.19031
43 3HRD FAD 0.02929 0.42229 5.53633
44 2WBV SIA 0.006824 0.41951 5.82011
45 3QFS FAD 0.04666 0.40839 5.88235
46 3FJO FAD 0.01869 0.40519 5.88235
47 3E5P PPI 0.003576 0.40274 5.88235
48 1RP0 AHZ 0.04202 0.40498 5.98592
49 2ZFU SAH 0.01861 0.41054 6.97674
50 4Z9D NAD 0.02321 0.40392 7.42857
51 1TLL FAD 0.01244 0.41786 7.61246
52 5T8U LPA 0.0107 0.41115 7.61246
53 2AE2 NAP 0.03592 0.41649 8.07692
54 2AE2 PTO 0.03592 0.41649 8.07692
55 3R5Z F42 0.003983 0.45013 8.27586
56 5H5J FAD 0.01127 0.41826 9.27835
57 3R9V DXC 0.003444 0.46093 9.44056
58 3DRW AMP 0.01231 0.40578 9.68858
59 5LYH 7B8 0.0326 0.4037 12.9534
60 5BNW 12V 0.01432 0.43139 16.955
61 4FGC PQ0 0.01002 0.4076 17.5758
62 4GYW UDP 0.01721 0.42595 42.8571
Pocket No.: 2; Query (leader) PDB : 1NE7; Ligand: AGP; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1NE7; Ligand: 16G; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1NE7; Ligand: 16G; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1NE7; Ligand: 16G; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1NE7; Ligand: AGP; Similar sites found: 81
This union binding pocket(no: 6) in the query (biounit: 1ne7.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HWK BEZ 0.02217 0.40082 1.25
2 2CDC NAP 0.03541 0.418 1.7301
3 5UAO FAD 0.02451 0.40876 2.07612
4 2V3A FAD 0.02654 0.40703 2.07612
5 3W6G FLC 0.01445 0.40684 2.31481
6 1RM4 NDP 0.01755 0.40349 2.42215
7 5N2I NAP 0.01127 0.40504 2.58621
8 4J4H 1J1 0.04302 0.40309 2.7027
9 4J4H NAI 0.04988 0.40051 2.7027
10 4U7W NDP 0.005086 0.43063 2.76817
11 5UAV TFB 0.01253 0.42126 2.76817
12 5UAV NDP 0.01253 0.42126 2.76817
13 1Q3Q ANP 0.01725 0.40385 2.76817
14 3ENV ABF 0.007534 0.40742 2.97872
15 5M67 NAD 0.03934 0.40659 3.11419
16 3OND ADN 0.03814 0.40654 3.11419
17 5M67 ADE 0.04362 0.40426 3.11419
18 5M67 3D1 0.04951 0.4014 3.11419
19 2P3V SRT 0.01759 0.40322 3.125
20 2B6N ALA PRO THR 0.0001236 0.51554 3.23741
21 4L50 D8X 0.0001894 0.48127 3.38346
22 3NOJ PYR 0.008447 0.43463 3.46021
23 4A0M NAD 0.02235 0.4034 3.46021
24 3GGO ENO 0.03564 0.40326 3.46021
25 1FWV SGA MAG FUC 0.007401 0.43073 3.73134
26 4MIG G3F 0.01164 0.43375 3.80623
27 1PS9 FAD 0.02654 0.40975 3.80623
28 5FJN FAD 0.03305 0.40577 3.80623
29 5FJN BE2 0.03688 0.40577 3.80623
30 1TDF FAD 0.03885 0.40538 4.15225
31 4NAE 1GP 0.01909 0.4019 4.44444
32 4RPL FAD 0.007689 0.45232 4.49827
33 4RPL 3UC 0.01306 0.44209 4.49827
34 5J60 FAD 0.02101 0.41397 4.49827
35 3VGL BGC 0.01107 0.40804 4.49827
36 1NVT NAP 0.008611 0.41535 4.52962
37 1YKJ PHB 0.02453 0.42526 4.84429
38 1YKJ FAD 0.02453 0.42526 4.84429
39 4BVA NDP 0.006218 0.43042 5.07463
40 4BVA T3 0.02163 0.41147 5.07463
41 2YVF NAD 0.03455 0.41681 5.19031
42 2YVF FAD 0.03365 0.41681 5.19031
43 3B9Q MLI 0.008599 0.40329 5.19031
44 1O8B ABF 0.001655 0.4482 5.47945
45 4EU7 CIT 0.01383 0.42116 5.53633
46 4MO2 FDA 0.01373 0.42033 5.53633
47 4EU7 COA 0.01881 0.41353 5.53633
48 2BRY FAD 0.01864 0.40953 5.53633
49 4TXI FAD 0.02565 0.40162 5.53633
50 1OYF MHN 0.01478 0.41037 5.78512
51 2F5Z FAD 0.01245 0.42809 5.88235
52 3UCL CYH 0.04947 0.41025 5.88235
53 3UCL FAD 0.04947 0.41025 5.88235
54 1E1M FAD 0.03942 0.40935 5.88235
55 1RP0 AHZ 0.007025 0.42909 5.98592
56 3UOY FAD 0.03748 0.41781 6.22837
57 3UOY NAP 0.03748 0.41781 6.22837
58 5J7X FAD 0.0304 0.40406 6.57439
59 4D7E FAD 0.02706 0.40467 6.92042
60 1LK7 DER 0.0002699 0.47417 6.9869
61 1OVD FMN 0.02743 0.40438 7.26644
62 2W5P CL8 0.003228 0.44466 7.38255
63 4BV6 FAD 0.007673 0.43684 8.3045
64 1DAR GDP 0.01231 0.40154 8.65052
65 1M0S CIT 0.001621 0.44864 8.6758
66 1J0X NAD 0.0374 0.40386 8.99654
67 3JUC PCA 0.01958 0.40934 9.15033
68 2HK9 ATR 0.006959 0.4133 9.45455
69 1NVM NAD 0.02069 0.40731 10.1449
70 5G3U ITW 0.01619 0.42319 10.7266
71 5G3U FDA 0.01372 0.42134 10.7266
72 3BXF FBP 0.00006854 0.50573 12.9412
73 3BXF 13P 0.0001164 0.49032 12.9412
74 3CTY FAD 0.01831 0.42048 13.1488
75 1Q9I TEO 0.009308 0.44396 16.263
76 5MBX SP5 0.01891 0.42662 16.609
77 5MBX FAD 0.01891 0.42662 16.609
78 1UJ5 5RP 0.001722 0.43704 19.8238
79 5VIT MLI 0.02151 0.40104 23.2323
80 1VL1 CIT 0.0003561 0.49054 27.5862
81 3EB9 FLC 0.00001388 0.5336 33.0827
Pocket No.: 7; Query (leader) PDB : 1NE7; Ligand: AGP; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1NE7; Ligand: AGP; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1NE7; Ligand: 16G; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1NE7; Ligand: AGP; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1NE7; Ligand: AGP; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1NE7; Ligand: 16G; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback