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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-BISPHO ALDOLASE: STRUCTURAL ANALYSIS OF REACTION INTERMEDIATES THERMOPROTEUS TENAX ALDOLASE FRUCTOSE 1 6-BISPHOSPHATE TIM BARREL GLYCOLYTICARCHAEAL CATALYTIC MECHANISM REACTION INTERMEDIATE LYASE
Ref.: MECHANISM OF THE SCHIFF BASE FORMING FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE: STRUCTURAL ANAL 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-BISPHO ALDOLASE: STRUCTURAL ANALYSIS OF REACTION INTERMEDIATES THERMOPROTEUS TENAX ALDOLASE FRUCTOSE 1 6-BISPHOSPHATE TIM BARREL GLYCOLYTICARCHAEAL CATALYTIC MECHANISM REACTION INTERMEDIATE LYASE
Ref.: MECHANISM OF THE SCHIFF BASE FORMING FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE: STRUCTURAL ANAL 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 13 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 AFP 1 1
2 FBP 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 with APoc: 245
This union binding pocket(no: 1) in the query (biounit: 1w8s.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2FKA BEF None
2 5FQK 6NT 1.14068
3 2G30 ALA ALA PHE 1.16279
4 1IIM TTP 1.52091
5 2C91 NAP 1.52091
6 4I9A NCN 1.90114
7 3KRU FMN 1.90114
8 6A1G 9OL 1.90114
9 4BG4 ADP 1.90114
10 4WOE ADP 1.90114
11 2E0N SAH 1.9305
12 5ZFJ 9BF 2.20264
13 1U6R ADP 2.28137
14 5OCS FMN 2.28137
15 4I3V NAD 2.28137
16 1VRP ADP 2.28137
17 1VMK GUN 2.28137
18 5K4W THR 2.28137
19 3B96 FAD 2.28137
20 1SDW IYT 2.28137
21 1QY1 PRZ 2.29885
22 2Q2V NAD 2.35294
23 2AKO ADP 2.39044
24 3JRS A8S 2.40385
25 5HW4 SAM 2.41935
26 4Z87 5GP 2.6616
27 1WNG SAH 2.6616
28 1VCE SAH 2.6616
29 2YNE NHW 2.6616
30 2YNE YNE 2.6616
31 5C5H 4YB 2.6616
32 5W4W 9WG 2.6616
33 4B7X NAP 2.6616
34 1NIU DCS 2.6616
35 2BP1 NDP 2.6616
36 5XFV FMN 3.04183
37 4R74 F6P 3.04183
38 2IXB A2G 3.04183
39 2IXB NAD 3.04183
40 3LXN MI1 3.04183
41 4WCX MET 3.04183
42 6GIU L69 3.04183
43 1M15 ADP 3.04183
44 1M15 ARG 3.04183
45 4D57 ARG AMP 3.04183
46 4LUT DCS 3.04183
47 4IDT T28 3.04183
48 2BO4 FLC 3.04183
49 3NEM AMO 3.04183
50 4EUE NAI 3.04183
51 1VKO NAD 3.04183
52 4FE2 AIR 3.13725
53 4JEJ 1GP 3.27869
54 2GQS ADP 3.37553
55 2GU8 796 3.42205
56 4ZUL UN1 3.42205
57 1DQX BMP 3.42205
58 3C3N FMN 3.42205
59 1TUF AZ1 3.42205
60 1UJP CIT 3.42205
61 1RE8 BD2 3.42205
62 2A8Y MTA 3.42205
63 5FAG PPI 3.42205
64 1FL2 FAD 3.42205
65 3HCH RSM 3.42466
66 1M5W DXP 3.7037
67 1Q6O LG6 3.7037
68 3B0P FMN 3.80228
69 2VD9 EPC 3.80228
70 2VD9 IN5 3.80228
71 1D6S PLP MET 3.80228
72 2Q8Z NUP 3.80228
73 5UIU 8CG 3.80228
74 4V15 PLP 3.80228
75 3JU6 ANP 3.80228
76 5N5S NAP 3.80228
77 2DTX BMA 3.80228
78 1OX5 1PR 3.80228
79 4IXH IMP 3.87812
80 1KGI T4A 3.93701
81 4JD0 1KH 3.98406
82 1F9V ADP 4.18251
83 2NVA PL2 4.18251
84 3W9Z FMN 4.18251
85 2C6Q NDP 4.18251
86 3EKK GS2 4.18251
87 4Q4K FMN 4.18251
88 3MJY IJZ 4.18251
89 2C6Q IMP 4.18251
90 4XP7 FNR 4.18251
91 6C0T EE4 4.18251
92 5MRH Q9Z 4.18251
93 6AM8 PLT 4.18251
94 1RM0 NAI 4.18251
95 3MJY FMN 4.18251
96 2RJH DCS 4.18251
97 3QSB 743 4.18251
98 3X44 PUS 4.18251
99 5D9J 0N8 4.27807
100 3TAY MN0 4.29448
101 2TPI ILE VAL 4.36681
102 3OVR 5SP 4.38596
103 6GNO XDI 4.44444
104 6BKA FMN 4.56274
105 5EYK 5U5 4.56274
106 3B6R ADP 4.56274
107 2C29 DQH 4.56274
108 2C29 NAP 4.56274
109 5KD6 6C7 4.56274
110 4C3Y ANB 4.56274
111 3MF2 AMP 4.56274
112 4LIT AKG 4.56274
113 1VGR COA 4.56274
114 2XIQ MLC 4.56274
115 3BW2 FMN 4.60705
116 3O94 NCA 4.73934
117 2QBU SAH 4.74138
118 4Z0G 5GP 4.94297
119 1RJW ETF 4.94297
120 3NUG NAD 5.26316
121 5TCI MLI 5.32319
122 4QIJ 1HA 5.32319
123 1VFS DCS 5.32319
124 3HAZ NAD 5.32319
125 5LKT BCO 5.32319
126 3WQD PLP 999 5.32319
127 5Y72 DST 5.32319
128 5GJO PLP 5.32319
129 2AE2 PTO 5.38462
130 2AE2 NAP 5.38462
131 1UPR 4IP 5.69106
132 6FK3 PPI 5.70342
133 1GTE FMN 5.70342
134 1GTE IUR 5.70342
135 4NAE 1GP 5.77778
136 4KJU 1RH 5.81395
137 4EWN 0VR 5.92885
138 5CIC 51R 6.08365
139 4HKP TKW 6.08365
140 5B3A 0JO 6.08365
141 4OYA 1VE 6.08365
142 3MI2 PFU 6.08365
143 4HKP 16B 6.08365
144 5AHM IMP 6.08365
145 3VC3 C6P 6.08365
146 3WQT ANP 6.08365
147 2F57 23D 6.08365
148 2QCD U5P 6.15385
149 1DBT U5P 6.27615
150 3CF6 SP1 6.46388
151 4O9S 2RY 6.51163
152 1EIX BMQ 6.53061
153 4N65 FMN 6.60377
154 5JDA AMP 6.84411
155 4WZ8 3W7 7.22433
156 1JXZ BCA 7.22433
157 5N0O SAM 7.22433
158 3VKX T3 7.27969
159 3RJ5 NAD 7.48031
160 3SAO DBH 7.5
161 6C2Z P1T 7.60456
162 1QPR PPC 7.60456
163 6B3V ANP 7.60456
164 4WZH FMN 7.60456
165 2X24 X24 7.60456
166 3TTC ADP 7.60456
167 5J5R IMP 7.96915
168 5J5R 6G1 7.96915
169 4AF0 IMP 7.98479
170 6MJF SAH 7.98479
171 5YJS SAL 7.98479
172 3WUD GLC GAL 8.08823
173 4NAT 2W5 8.125
174 2FLI DX5 8.18182
175 5DYO FLU 8.25688
176 1X1Z BMP 8.33333
177 4LH0 GLV 8.36502
178 1TB3 FMN 8.36502
179 6FA4 D1W 8.67052
180 1ME8 RVP 8.74525
181 1PVN MZP 8.74525
182 2BLE 5GP 8.74525
183 2PLK P3D 8.74525
184 1OVD ORO 8.74525
185 1TLL NAP 8.74525
186 1OVD FMN 8.74525
187 1NM5 NAP 8.86699
188 4IPH 1FJ 8.94309
189 5FEU NAP 9.12547
190 5GVH FMN 9.12547
191 1LOR BMP 9.21053
192 2J9D ADP 9.2437
193 2J9C ATP 9.2437
194 2F5Z FAD 9.375
195 3VKC FPQ 9.5057
196 6G9I CXX 9.52381
197 3LF0 ATP 9.64912
198 2F6U CIT 9.82906
199 2Y88 2ER 9.83607
200 3VZ3 SSN 9.88593
201 2F01 BTQ 10.2362
202 2F01 BTN 10.2362
203 1CX9 NHP 10.2662
204 1O5R FR9 10.2662
205 5G48 1FL 10.2662
206 1TV5 FMN 10.2662
207 5L13 6ZE 10.2662
208 1VKF CIT 10.6383
209 3PC3 P1T 10.6464
210 3EXS 5RP 11.3122
211 3NZ1 3NY 11.8774
212 5AHN IMP 12.1673
213 2Z6I FMN 12.1673
214 3KDN CAP 12.5475
215 1LBF 137 12.5506
216 4R38 RBF 12.8571
217 4RF7 ARG 12.9278
218 5X8G S0N 12.9278
219 2Q3O FMN 12.9278
220 1WPQ NAD 12.9278
221 2Z6J FMN 12.9278
222 1NJJ ORX 13.308
223 1W6O LAT 13.4328
224 3OYW TDG 13.4328
225 1GZW GAL BGC 13.4328
226 5XLY C2E 13.5338
227 3C2O NTM 13.6882
228 5L2M 6ZY 13.6882
229 5A5W GUO 14.2292
230 1V3S ATP 14.6552
231 6B5G NAD 14.8289
232 6B5G CQY 14.8289
233 3QH2 3NM 14.9321
234 2OO0 PLP 15.2091
235 1PDZ PGA 15.2091
236 2VL1 GLY GLY 15.5894
237 3H0L ADP 17.0213
238 2P3V SRT 17.1103
239 1EP2 FMN 20.1521
240 3NCQ ATP 21.0084
241 1XXA ARG 21.7949
242 2P1M IHP 21.875
243 3RHJ NAP 24.3346
244 4USI ATP 24.6753
245 3GLC R5P 45.6274
Pocket No.: 2; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found with APoc: 28
This union binding pocket(no: 2) in the query (biounit: 1w8s.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3L6R MLI 2.28137
2 5KJW 53C 2.6616
3 4D9M 0JO 3.04183
4 4E1Z 0MX 3.04183
5 1S68 AMP 3.21285
6 2WOX NDP 3.42205
7 5O42 NAD 3.64964
8 5O42 BGC 3.64964
9 5O42 9JW 3.64964
10 2GVJ DGB 4.18251
11 4QYS PLP SEP 4.94297
12 3HAZ FAD 5.32319
13 1UJ2 C5P 5.55556
14 1UJ2 ADP 5.55556
15 2Y7G AAE 5.70342
16 3OTX AP5 5.70342
17 4M0R 644 6.08365
18 3L6C MLI 6.84411
19 2EFX NFA 6.84411
20 4PTN GXV 6.84411
21 6GEW SAH 7.98479
22 6GEW SFG 7.98479
23 4NMC 2OP 8.36502
24 1D0L BLG 10.2662
25 2E5V FAD 11.4068
26 1TT8 PHB 13.4146
27 5F3I 5UJ 21.2928
28 4XIZ LPP 21.4286
Pocket No.: 3; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found with APoc: 40
This union binding pocket(no: 3) in the query (biounit: 1w8s.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2DUR MAN MAN 1.97628
2 4ITU 1HS 2.28137
3 2RDE C2E 2.39044
4 1YOE RIB 2.6616
5 2XI7 XI7 2.71739
6 5A65 TPP 2.76498
7 2I8T GDD 2.99401
8 6AMI TRP 3.04183
9 5YSN 5AD 3.42205
10 4M1U A2G MBG 3.42205
11 2PNC CLU 3.80228
12 4CIB 7UZ 3.80228
13 6CUZ FEV 4.18251
14 5YX4 HCC 4.74138
15 4O8A FAD 4.94297
16 2TPS TPS 5.28634
17 5IUW IAC 5.4326
18 3KYF 5GP 5GP 5.62771
19 4YKG FAD 6.08365
20 1H5Q NAP 6.08365
21 4WGF HX2 6.34146
22 2V58 LZJ 6.46388
23 3AY6 BGC 6.46388
24 6B3V 7DQ 7.60456
25 6B2M COA 7.60456
26 1IGW PYR 7.98479
27 2NVK FAD 7.98479
28 4NMC FAD 8.36502
29 2GMH FAD 8.74525
30 4D4U FUC GAL NAG 8.74525
31 5FFF 5XC 9.33852
32 5OF1 SAL 10
33 4BX7 B4F 10.1562
34 1KY8 NAP 11.0266
35 5CAD PCA 11.7871
36 2QHD DAO 12.2951
37 2IRY DGT 18.6312
38 5A89 ADP 20.5128
39 5A89 FMN 20.5128
40 2RI1 GLP 23.8298
Pocket No.: 4; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found with APoc: 10
This union binding pocket(no: 4) in the query (biounit: 1w8s.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3GDN HBX 3.04183
2 1MLY ACZ PLP 3.42205
3 1GVE NAP 5.19878
4 3BIY 01K 5.32319
5 2FFC U5P 5.32319
6 1QD1 FON 5.32319
7 2YAK OSV 5.70342
8 1V7C HEY 6.46388
9 1NZY BCA 7.22433
10 5XVG 8FX 10.6464
Pocket No.: 5; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found with APoc: 17
This union binding pocket(no: 5) in the query (biounit: 1w8s.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5JIC N7E 2.28137
2 5JIC ADP 2.28137
3 1XJD STU 2.6616
4 3ZV6 NAD 2.6616
5 3ZV6 4HB 2.6616
6 1ZGS XMM 2.6616
7 3DDN HPV 4.18251
8 1PZO CBT 4.94297
9 1G51 AMO 5.32319
10 1GPE FAD 6.46388
11 4XTX 590 6.46388
12 1DZK PRZ 7.00637
13 1NM5 NAD 8.86699
14 1W6P NDG GAL 13.4328
15 2P1O NLA 21.875
16 2P1O IHP 21.875
17 5ODQ FAD 23.5714
Pocket No.: 6; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found with APoc: 9
This union binding pocket(no: 6) in the query (biounit: 1w8s.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4B0T ADP 1.90114
2 5BVE 4VG 2.28137
3 3UIM ANP 2.6616
4 2ZB3 NDP 3.04183
5 1PS9 FMN 4.18251
6 5EXW 7DT 5.70342
7 5JGA 6KC 7.60456
8 4NAT ADP 8.125
9 1EP2 ORO 20.1521
Pocket No.: 7; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found with APoc: 5
This union binding pocket(no: 7) in the query (biounit: 1w8s.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5DX0 SFG 3.42205
2 5T9F NAP 6.46388
3 4O48 ASP 7.53012
4 3TA2 AKG 8.47458
5 1AL8 DHP 14.8289
Pocket No.: 8; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found with APoc: 8
This union binding pocket(no: 8) in the query (biounit: 1w8s.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4B2D FBP 2.28137
2 2CIG 1DG 3.77358
3 4IP7 FBP 4.18251
4 3IES M24 6.08365
5 3LAD FAD 7.60456
6 5XDT MB3 9.5057
7 5Y4R C2E 12.4138
8 5ODQ 9SB 23.5714
Pocket No.: 9; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found with APoc: 12
This union binding pocket(no: 9) in the query (biounit: 1w8s.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3LL5 IPE 1.60643
2 1V35 NAI 1.90114
3 6GWR FEW 2.6616
4 1SWG BTN 3.125
5 1D6S MET PLP 3.80228
6 4CQE CQE 4.56274
7 6MPT C30 6.08365
8 4Y30 SAH 6.84411
9 3RDO BTN 8.49673
10 5H1W LER 9.88593
11 3RJY GLC 11.0266
12 3O9L LPN 13.0682
Pocket No.: 10; Query (leader) PDB : 1W8S; Ligand: FBP; Similar sites found with APoc: 35
This union binding pocket(no: 10) in the query (biounit: 1w8s.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5EJ2 NAD 1.52091
2 3ZUY TCH 1.90114
3 2P53 NNG 2.28137
4 2C94 TSF 2.5
5 1BDB NAD 2.6616
6 2WME NAP 3.42205
7 3LXK MI1 4.18251
8 2F2G HMH 4.52489
9 4PVD NDP 4.94297
10 1TIW TFB 4.94297
11 1TIW FAD 4.94297
12 3SJU NDP 4.94297
13 2RH4 EMO 5.32319
14 3VZS CAA 5.44747
15 3VZS NAP 5.44747
16 4A59 AMP 5.70342
17 1IR2 CAP 6.08365
18 6C4A PYR 6.46388
19 2V6A CAP 7.14286
20 2V67 CAP 7.14286
21 2V63 CAP 7.14286
22 2V68 CAP 7.14286
23 2VDH CAP 7.14286
24 1UZH CAP 8.19672
25 1Z0N BCD 8.33333
26 5N9Z CAP 8.63309
27 1RBL CAP 10.0917
28 5T2U NAP 10.8871
29 5HSA FAS 11.0266
30 5LXB 7A9 11.157
31 1UZD CAP 11.194
32 1RBO CAP 11.3821
33 1IR1 CAP 11.3821
34 1KBI FMN 23.1939
35 1KBI PYR 23.1939
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