Receptor
PDB id Resolution Class Description Source Keywords
1W8S 1.85 Å EC: 4.1.2.13 THE MECHANISM OF THE SCHIFF BASE FORMING FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE: STRUCTURAL ANALYSIS OF R EACTION INTERMEDIATES THERMOPROTEUS TENAX ALDOLASE FRUCTOSE 1 6-BISPHOSPHATE TIM BARREL GLYCOLYTIC ARCHAEAL CATALYTIC MECHANISM REACTION INTERMEDIATE LYASE
Ref.: MECHANISM OF THE SCHIFF BASE FORMING FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE: STRUCTURAL ANALYSIS OF REACTION INTERMEDIATES BIOCHEMISTRY V. 44 4222 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FBP A:270;
B:270;
C:270;
D:270;
E:270;
F:270;
G:270;
H:270;
I:270;
J:270;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
340.116 C6 H14 O12 P2 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W8S 1.85 Å EC: 4.1.2.13 THE MECHANISM OF THE SCHIFF BASE FORMING FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE: STRUCTURAL ANALYSIS OF R EACTION INTERMEDIATES THERMOPROTEUS TENAX ALDOLASE FRUCTOSE 1 6-BISPHOSPHATE TIM BARREL GLYCOLYTIC ARCHAEAL CATALYTIC MECHANISM REACTION INTERMEDIATE LYASE
Ref.: MECHANISM OF THE SCHIFF BASE FORMING FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE: STRUCTURAL ANALYSIS OF REACTION INTERMEDIATES BIOCHEMISTRY V. 44 4222 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1W8S - FBP C6 H14 O12 P2 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1W8S - FBP C6 H14 O12 P2 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1W8S - FBP C6 H14 O12 P2 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FBP; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 FBP 1 1
2 AFP 1 1
3 F1X 0.744186 0.954545
4 TA6 0.666667 0.954545
5 F6P 0.666667 0.954545
6 FDP 0.462963 0.954545
7 OI7 0.448276 0.976744
8 F1P 0.418182 0.847826
9 AHG 0.404255 0.930233
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1w8s.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found: 79
This union binding pocket(no: 3) in the query (biounit: 1w8s.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FKA BEF 0.01167 0.40908 None
2 5FQK 6NT 0.009879 0.41692 1.14068
3 4WOE ADP 0.006021 0.42774 1.90114
4 3KRU FMN 0.02185 0.40503 1.90114
5 2DUR MAN MAN 0.0111 0.41179 1.97628
6 2RDE C2E 0.006392 0.40341 2.39044
7 1WNG SAH 0.008276 0.40954 2.6616
8 5KJW 53C 0.01997 0.40824 2.6616
9 5C5H 4YB 0.01401 0.40679 2.6616
10 1YOE RIB 0.01586 0.40041 2.6616
11 5A65 TPP 0.0101 0.40553 2.76498
12 5IXJ THR 0.01393 0.41221 3.04183
13 4WCX MET 0.01336 0.4077 3.04183
14 4R74 F6P 0.01371 0.40107 3.04183
15 1RYA GDP 0.01735 0.40235 3.125
16 4FE2 AIR 0.0129 0.40057 3.13725
17 1DQX BMP 0.009926 0.40762 3.42205
18 3HCH RSM 0.01463 0.40464 3.42466
19 1Q6O LG6 0.002179 0.43005 3.7037
20 1M5W DXP 0.01599 0.40463 3.7037
21 2PNC CLU 0.004425 0.43927 3.80228
22 2VD9 EPC 0.001383 0.42356 3.80228
23 4V15 PLP 0.004469 0.41791 3.80228
24 2VD9 IN5 0.003082 0.41462 3.80228
25 5UIU 8CG 0.01681 0.40944 3.80228
26 3B0P FMN 0.003826 0.40889 3.80228
27 2DTX BMA 0.02627 0.40818 3.80228
28 4CIB 7UZ 0.01997 0.40023 3.80228
29 4JD0 1KH 0.004398 0.43537 3.98406
30 5MRH Q9Z 0.004654 0.42637 4.18251
31 4Q4K FMN 0.01041 0.41292 4.18251
32 3MJY IJZ 0.0188 0.40823 4.18251
33 3MJY FMN 0.0188 0.40823 4.18251
34 2RJH DCS 0.006135 0.40745 4.18251
35 4XP7 FNR 0.009407 0.40513 4.18251
36 4O8A FAD 0.02188 0.40386 4.94297
37 2TPS TPS 0.01501 0.40535 5.28634
38 5TCI MLI 0.005378 0.43189 5.32319
39 5GJO PLP 0.006739 0.40561 5.32319
40 2AE2 NAP 0.02602 0.4093 5.38462
41 3KYF 5GP 5GP 0.0129 0.40056 5.62771
42 2Y7G AAE 0.003462 0.41194 5.70342
43 4NAE 1GP 0.004936 0.43218 5.77778
44 4EWN 0VR 0.006172 0.40084 5.92885
45 4OYA 1VE 0.0083 0.44928 6.08365
46 3MI2 PFU 0.03221 0.41033 6.08365
47 2QCD U5P 0.006297 0.41504 6.15385
48 1DBT U5P 0.001707 0.41214 6.27615
49 1EIX BMQ 0.004162 0.40226 6.53061
50 5JDA AMP 0.006346 0.42642 6.84411
51 1QPR PPC 0.00529 0.42035 7.60456
52 1IGW PYR 0.01063 0.41592 7.98479
53 3W25 XYP XYP 0.008108 0.41015 7.98479
54 4AF0 IMP 0.01043 0.40827 7.98479
55 1X1Z BMP 0.008213 0.44066 8.33333
56 4NMC FAD 0.02409 0.40817 8.36502
57 4NMC 2OP 0.02772 0.40415 8.36502
58 1ME8 RVP 0.003147 0.45086 8.74525
59 2BLE 5GP 0.006066 0.42697 8.74525
60 4D4U FUC GAL NAG 0.01842 0.40364 8.74525
61 1NM5 NAP 0.0427 0.40616 8.86699
62 2F6U CIT 0.01957 0.40022 9.82906
63 2Y88 2ER 0.001642 0.46356 9.83607
64 1O5R FR9 0.02093 0.4048 10.2662
65 3PC3 P1T 0.01268 0.40265 10.6464
66 3EXS 5RP 0.002024 0.43871 11.3122
67 5CAD PCA 0.008388 0.42092 11.7871
68 3NZ1 3NY 0.001848 0.45718 11.8774
69 2QHD DAO 0.02535 0.41567 12.2951
70 3KDN CAP 0.0335 0.40869 12.5475
71 3O9L LPN 0.03149 0.40422 13.0682
72 3C2O NTM 0.004839 0.43022 13.6882
73 1V3S ATP 0.002476 0.43379 14.6552
74 3QH2 3NM 0.004692 0.43131 14.9321
75 2OO0 PLP 0.001953 0.42297 15.2091
76 3H0L ADP 0.005097 0.42445 17.0213
77 2P3V SRT 0.006356 0.43075 17.1103
78 2P1M IHP 0.01042 0.4129 21.875
79 3GLC R5P 0.000000266 0.6128 45.6274
Pocket No.: 4; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1w8s.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found: 18
This union binding pocket(no: 9) in the query (biounit: 1w8s.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4YLL 4E3 0.01636 0.40272 1.90114
2 4I9A NCN 0.003869 0.40059 1.90114
3 2E0N SAH 0.01259 0.40116 1.9305
4 2SFP PPI 0.00473 0.40207 2.6616
5 4LUT DCS 0.01234 0.40157 3.04183
6 1M15 ADP 0.03258 0.40088 3.04183
7 1M15 ARG 0.03258 0.40088 3.04183
8 4JEJ 1GP 0.009372 0.40078 3.27869
9 1D6S MET PLP 0.006526 0.42354 3.80228
10 1D6S PLP MET 0.006208 0.42293 3.80228
11 3L6C MLI 0.004204 0.43989 6.84411
12 2YBQ UP2 0.03091 0.40511 7.98479
13 2FLI DX5 0.01437 0.40211 8.18182
14 2J9C ATP 0.01613 0.4075 9.2437
15 3LF0 ATP 0.01743 0.4014 9.64912
16 1W6O LAT 0.005858 0.40526 13.4328
17 1GZW GAL BGC 0.006189 0.40371 13.4328
18 4USI ATP 0.01004 0.41126 24.6753
Pocket No.: 10; Query (leader) PDB : 1W8S; Ligand: FBP; 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: 1w8s.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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