Receptor
PDB id Resolution Class Description Source Keywords
2FJK 2.2 Å EC: 4.1.2.13 CRYSTAL STRUCTURE OF FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE IN THERMUS CALDOPHILUS THERMUS CALDOPHILUS BETA-ALPHA-BARRELS LYASE
Ref.: STEREOSELECTIVITY OF FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE IN THERMUS CALDOPHILUS BIOCHEM.BIOPHYS.RES.COMMUN. V. 347 616 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
13P A:1063;
B:1073;
C:1083;
D:1093;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
170.058 C3 H7 O6 P C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FJK 2.2 Å EC: 4.1.2.13 CRYSTAL STRUCTURE OF FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE IN THERMUS CALDOPHILUS THERMUS CALDOPHILUS BETA-ALPHA-BARRELS LYASE
Ref.: STEREOSELECTIVITY OF FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE IN THERMUS CALDOPHILUS BIOCHEM.BIOPHYS.RES.COMMUN. V. 347 616 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 2FJK - 13P C3 H7 O6 P C(C(=O)COP....
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 2FJK - 13P C3 H7 O6 P C(C(=O)COP....
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 2FJK - 13P C3 H7 O6 P C(C(=O)COP....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 13P; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 13P 1 1
2 PGA 0.5 0.818182
3 HPV 0.4375 0.90625
4 PGH 0.424242 0.622222
5 IBS 0.404255 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FJK; Ligand: 13P; 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: 2fjk.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2FJK; Ligand: 13P; 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: 2fjk.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2FJK; Ligand: 13P; Similar sites found: 149
This union binding pocket(no: 3) in the query (biounit: 2fjk.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1CZR FMN 0.006482 0.42098 None
2 3X1Z GNP 0.02812 0.40058 None
3 1Y1P NMN AMP PO4 0.02226 0.40149 1.31148
4 4HDQ GNP 0.02526 0.40158 1.63934
5 1N46 PFA 0.02202 0.40458 1.93798
6 3NTY NAP 0.01861 0.42304 1.96721
7 3NTY 5P3 0.01938 0.42304 1.96721
8 4IGH ORO 0.04154 0.42028 1.96721
9 4IGH FMN 0.04154 0.42028 1.96721
10 4IGH 1EA 0.04154 0.42028 1.96721
11 1J0D 5PA 0.02089 0.40573 1.96721
12 1DJN FMN 0.02297 0.4008 1.96721
13 5CSS G3P 0.0003924 0.4607 2.21239
14 2GJN FMN 0.0015 0.46269 2.29508
15 2GJN NIS 0.001733 0.46269 2.29508
16 1LVK MNT BEF 0.03871 0.41356 2.29508
17 4RGQ 13P 0.03281 0.40824 2.29508
18 5WGR FAD 0.04344 0.40453 2.29508
19 4BI7 PGA 0.001326 0.43728 2.33463
20 2BLE 5GP 0.01326 0.41836 2.62295
21 4NTD FAD 0.02367 0.41662 2.62295
22 1N4W FAD 0.04434 0.40656 2.62295
23 3PPM JG1 0.0386 0.40453 2.62295
24 4NAE 1GP 0.00177 0.40524 2.66667
25 2QCD U5P 0.01359 0.4072 2.69231
26 1JCM 137 0.01067 0.40861 2.7027
27 4YMZ 13P 0.00128 0.43714 2.78884
28 1QDS PGA 0.002961 0.42591 2.78884
29 1TRD PGH 0.003575 0.42463 2.8
30 1LYX PGA 0.0004381 0.47016 2.82258
31 2I7C AAT 0.03964 0.40099 2.82686
32 2ZRU FMN 0.002855 0.46215 2.95082
33 1PVN MZP 0.006994 0.44522 2.95082
34 1OVD ORO 0.006095 0.44518 2.95082
35 1OVD FMN 0.006095 0.44518 2.95082
36 1PS9 FMN 0.01382 0.41019 2.95082
37 2XAU ADP 0.01054 0.40475 2.95082
38 2Q7V FAD 0.04555 0.40428 2.95082
39 3CIF G3H 0.03757 0.40116 2.95082
40 3CIF NAD 0.02836 0.40039 2.95082
41 5A5W GUO 0.001869 0.47501 3.16206
42 4JNA FAD 0.02271 0.42119 3.23529
43 4AF0 IMP 0.005339 0.43049 3.27869
44 2MBR EPU 0.0494 0.41123 3.27869
45 3OIX FMN 0.01536 0.40948 3.27869
46 3AB1 FAD 0.03805 0.40758 3.27869
47 1AL8 DHP 0.02729 0.40496 3.27869
48 3GFZ C2E 0.02281 0.40241 3.27869
49 1AL8 FMN 0.02311 0.40068 3.27869
50 5EOU ATP 0.01044 0.41452 3.49462
51 2FXU ATP 0.02135 0.43377 3.60656
52 2PAV ATP 0.007835 0.4325 3.60656
53 3MN6 ATP 0.01734 0.40371 3.60656
54 2Z6I FMN 0.0005834 0.4776 3.93443
55 1UUO FMN 0.03023 0.42222 3.93443
56 1UUO ORO 0.03023 0.42222 3.93443
57 1UUO BRF 0.032 0.42222 3.93443
58 2WET FAD 0.04484 0.40465 3.93443
59 3OVR 5SP 0.001372 0.45942 3.94737
60 2OQ2 A3P 0.018 0.40606 4.21456
61 2Z6J FMN 0.001078 0.47453 4.2623
62 1OS1 ATP 0.01379 0.41749 4.2623
63 3CTY FAD 0.04773 0.40563 4.2623
64 4EWN 0VR 0.0008026 0.46019 4.34783
65 2YPI PGA 0.002996 0.42568 4.45344
66 4IXH IMP 0.003498 0.44121 4.59016
67 1Z45 NAD 0.03395 0.40011 4.59016
68 4JLS 3ZE 0.002813 0.40374 4.60526
69 1ME8 RVP 0.005875 0.446 4.91803
70 1NAA 6FA 0.02383 0.42093 4.91803
71 1NAA ABL 0.03192 0.42093 4.91803
72 1YB5 NAP 0.02114 0.41515 4.91803
73 1ZFJ IMP 0.01026 0.41315 4.91803
74 3QH2 3NM 0.004405 0.40881 4.91803
75 4NTC FAD 0.04177 0.40629 4.91803
76 2A3Z ATP 0.01691 0.40257 5
77 2A42 ATP 0.01796 0.40129 5
78 4BQS K2Q 0.03749 0.40225 5.11364
79 1SW0 PGA 0.003663 0.42413 5.24194
80 1GTE FMN 0.0216 0.41467 5.2459
81 1GTE IUR 0.0216 0.41467 5.2459
82 1H9G COA MYR 0.01014 0.42285 5.34979
83 4KQI RBZ 0.0107 0.42689 5.57377
84 5LTJ ADP 0.003936 0.42266 5.57377
85 5GXU FMN 0.007651 0.4175 5.57377
86 1OFD FMN 0.02977 0.40848 5.57377
87 4AT0 FAD 0.04848 0.40753 5.57377
88 1OFD AKG 0.02983 0.40635 5.57377
89 1TPY SAH 0.02028 0.40196 5.57491
90 5EYW PGA 0.002357 0.42579 5.62249
91 1KBJ FMN 0.008601 0.42498 5.90164
92 2R4J 13P 0.04584 0.41168 5.90164
93 2R4J FAD 0.04584 0.41168 5.90164
94 1KBI PYR 0.02164 0.40631 5.90164
95 4Q4K FMN 0.001274 0.46622 6.22951
96 3BW2 FMN 0.001996 0.46251 6.22951
97 4ORM FMN 0.0354 0.42355 6.22951
98 4ORM ORO 0.0354 0.42355 6.22951
99 4ORM 2V6 0.0354 0.42355 6.22951
100 3C3N FMN 0.01684 0.42132 6.22951
101 1O94 ADP 0.01166 0.41692 6.22951
102 1TV5 FMN 0.01627 0.41255 6.22951
103 5DX1 SFG 0.01441 0.41236 6.22951
104 5DWQ SFG 0.01598 0.41013 6.22951
105 5DXA SFG 0.01776 0.40635 6.22951
106 5DX8 SFG 0.01836 0.40564 6.22951
107 1PZ1 NAP 0.02599 0.40359 6.22951
108 2X6T NAP 0.02947 0.40326 6.22951
109 2B4G FMN 0.007405 0.42968 6.55738
110 3MJY IJZ 0.01033 0.42886 6.55738
111 3MJY FMN 0.01033 0.42886 6.55738
112 4WZH FMN 0.009512 0.4228 6.55738
113 3FJO FMN 0.01719 0.40222 6.55738
114 5K9B FMN 0.004716 0.42765 6.66667
115 1DQX BMP 0.01025 0.41658 6.74157
116 1P18 PRP 0.01467 0.41047 6.78733
117 1P18 7HP 0.01467 0.41047 6.78733
118 1AG9 FMN 0.00664 0.42047 6.85714
119 3H7R NAP 0.0126 0.42078 6.88525
120 2BTM PGA 0.003861 0.41684 7.14286
121 4YDD MD1 0.04657 0.4218 7.21311
122 4YDD MGD 0.04657 0.4218 7.21311
123 3TAO PGH 0.00388 0.42043 7.49064
124 1OX5 1PR 0.00984 0.42488 7.54098
125 2FLI DX5 0.000937 0.46561 7.72727
126 2JJK R15 0.04132 0.4082 7.86885
127 4K81 GTP 0.01694 0.41167 8.18713
128 5BUK FAD 0.01674 0.42991 8.19672
129 5JCA FAD 0.02966 0.41504 8.4507
130 3GDQ ADP 0.01443 0.4237 8.52459
131 2Y88 2ER 0.00223 0.4665 8.60656
132 3FSJ D7K 0.02535 0.4089 8.85246
133 1LBF 137 0.01586 0.4131 9.7166
134 2C6Q NDP 0.01368 0.4328 9.83607
135 2C6Q IMP 0.007457 0.42657 9.83607
136 4OXX FMN 0.0102 0.41146 9.87654
137 2Q97 ATP 0.01904 0.40332 10.0775
138 4XP7 FNR 0.0052 0.4256 10.1639
139 1FEC FAD 0.02912 0.41871 12.459
140 4JEJ 1GP 0.0009675 0.45131 12.7049
141 2Q8Z NUP 0.01005 0.41859 14.0984
142 4KXL 6C6 0.0488 0.40588 14.4737
143 2OFW ADX 0.02351 0.41581 14.9038
144 4PL8 ATP 0.01375 0.40695 15.0685
145 5JAQ NAI 0.04111 0.40492 15.082
146 2PEZ GGZ 0.02855 0.40512 16.7598
147 2PEZ DAT 0.02855 0.40512 16.7598
148 5WDR GNP 0.02403 0.40267 31.5789
149 2A40 ATP 0.01857 0.40059 46.875
Pocket No.: 4; Query (leader) PDB : 2FJK; Ligand: 13P; 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: 2fjk.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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