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Receptor
PDB id Resolution Class Description Source Keywords
1ADO 1.9 Å EC: 4.1.2.13 FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE FROM RABBIT MUSCLE ORYCTOLAGUS CUNICULUS ALDOLASE LYASE (ALDEHYDE) SCHIFF BASE GLYCOLYSIS
Ref.: PRODUCT BINDING AND ROLE OF THE C-TERMINAL REGION IN CLASS I D-FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE. NAT.STRUCT.BIOL. V. 4 36 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
13P A:1104;
B:1053;
Valid;
Valid;
none;
none;
Kd ~ 1 uM
170.058 C3 H7 O6 P C(C(=...
SO4 C:1326;
D:1261;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ADO 1.9 Å EC: 4.1.2.13 FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE FROM RABBIT MUSCLE ORYCTOLAGUS CUNICULUS ALDOLASE LYASE (ALDEHYDE) SCHIFF BASE GLYCOLYSIS
Ref.: PRODUCT BINDING AND ROLE OF THE C-TERMINAL REGION IN CLASS I D-FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE. NAT.STRUCT.BIOL. V. 4 36 1997
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2OT1 Ki ~ 0.1 mM N3P C17 H13 Cl N O5 P c1ccc2cc(c....
2 1ADO Kd ~ 1 uM 13P C3 H7 O6 P C(C(=O)COP....
3 3BV4 - 13P C3 H7 O6 P C(C(=O)COP....
4 1ZAJ - M2P C6 H16 O12 P2 C([C@H]([C....
5 6ALD - 2FP C6 H14 O12 P2 C([C@H]([C....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 2OT1 Ki ~ 0.1 mM N3P C17 H13 Cl N O5 P c1ccc2cc(c....
2 1ADO Kd ~ 1 uM 13P C3 H7 O6 P C(C(=O)COP....
3 3BV4 - 13P C3 H7 O6 P C(C(=O)COP....
4 1ZAJ - M2P C6 H16 O12 P2 C([C@H]([C....
5 6ALD - 2FP C6 H14 O12 P2 C([C@H]([C....
6 1FDJ - 2FP C6 H14 O12 P2 C([C@H]([C....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5TKC - G3H C3 H7 O6 P C([C@H](C=....
2 5TK3 - G3H C3 H7 O6 P C([C@H](C=....
3 5TKL - G3H C3 H7 O6 P C([C@H](C=....
4 2PC4 - GLU ASP ASN ASP TRP ASN n/a n/a
5 2OT1 Ki ~ 0.1 mM N3P C17 H13 Cl N O5 P c1ccc2cc(c....
6 1ADO Kd ~ 1 uM 13P C3 H7 O6 P C(C(=O)COP....
7 3BV4 - 13P C3 H7 O6 P C(C(=O)COP....
8 1ZAJ - M2P C6 H16 O12 P2 C([C@H]([C....
9 6ALD - 2FP C6 H14 O12 P2 C([C@H]([C....
10 1FDJ - 2FP C6 H14 O12 P2 C([C@H]([C....
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 : 1ADO; Ligand: 13P; Similar sites found with APoc: 116
This union binding pocket(no: 1) in the query (biounit: 1ado.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4D52 GXL 1.26984
2 3UDG TMP 1.3289
3 2VD9 EPC 1.37741
4 2VD9 IN5 1.37741
5 1GVF PGH 1.3986
6 1IZC PYR 1.47493
7 1Z44 FMN 1.47929
8 1CKM GTP 1.51515
9 4J51 N75 1.53374
10 5AHN IMP 1.65289
11 2HHP FLC 1.65289
12 1TKK ALA GLU 1.65289
13 5W3Y ACO 1.70455
14 5O22 C3R 1.7301
15 4POS NAG SIA GAL 1.79856
16 1TUF AZ1 1.92837
17 1DMY AZM 2.01613
18 1HSR BHO 2.03488
19 5NC1 NAG 2.1097
20 1QPR PHT 2.11268
21 5GJO PLP 2.20386
22 1PS9 FMN 2.20386
23 3EXS 5RP 2.26244
24 6FBA D48 2.29226
25 6GVZ CHO 2.29508
26 1M5W DXP 2.46914
27 4LUT DCS 2.47934
28 4CW5 FMN 2.47934
29 2OVW CBI 2.47934
30 4BS0 6NT 2.47934
31 1T9D PYD 2.47934
32 1T9D FAD 2.47934
33 1T9D 1MM 2.47934
34 1T9D P25 2.47934
35 5OCS FMN 2.47934
36 4TQK NAG 2.47934
37 3W9Z FMN 2.48447
38 2RI1 GLP 2.55319
39 2B7N NTM 2.5641
40 3FW3 ETS 2.63158
41 3BRE C2E 2.7933
42 1TB3 FMN 2.84091
43 1DBT U5P 2.92887
44 1QH9 LAC 3.01724
45 2BHZ MAL 3.0303
46 6BJ0 G6P 3.0303
47 4NAE 1GP 3.11111
48 6G7N DAL 3.14465
49 4XP7 FNR 3.17919
50 1VKF CIT 3.19149
51 4JEJ 1GP 3.27869
52 4V15 PLP 3.30579
53 3UXM 0DN 3.31754
54 4GNC ASO 3.34448
55 3B0P FMN 3.42857
56 1G6H ADP 3.50195
57 5MB4 NAG 3.58127
58 5W75 SUC 3.58127
59 2Q3R FMN 3.58127
60 6BKA FMN 3.58127
61 2WR1 SIA GAL NAG 3.58127
62 1DJN FMN 3.58127
63 5NM7 GLY 3.7594
64 6BR7 BEF 3.7594
65 1QVJ RP5 3.76712
66 3NZ1 3NY 3.83142
67 4QNW FMN 3.85675
68 3BOF HCS 3.85675
69 2Q3O FMN 3.85675
70 4A3U FMN 3.91061
71 3GLC R5P 4.0678
72 2RJH DCS 4.13223
73 4Q4K FMN 4.20168
74 4A59 AMP 4.40771
75 2PLK P3D 4.40771
76 3G2Y GF4 4.56274
77 2OO0 PLP 4.6832
78 4XZ3 ACP 4.78261
79 4PTN GXV 4.95627
80 4UP4 NDG 4.95868
81 4UP4 GAL NAG 4.95868
82 2Z6I FMN 5.12048
83 1L5Y BEF 5.16129
84 4I9A NCN 5.20833
85 5AO7 NAG 5.23416
86 1NIU DCS 5.23416
87 3SHR CMP 5.23416
88 4G7A AZM 5.24194
89 1B0U ATP 5.34351
90 4RQL SNE 5.50964
91 6GW4 CHO 5.53746
92 3BW2 FMN 5.78512
93 1O5Q PYR 5.90164
94 5ERM 210 6.61157
95 5TCI MLI 6.88705
96 1EIX BMQ 6.93878
97 4XZ9 G3P 7.17489
98 3QH2 3NM 7.23982
99 1J78 OLA 7.7135
100 5CSS G3P 7.9646
101 1XVB BHL 7.98898
102 3WQD PLP 999 8.26446
103 4COQ SAN 8.50202
104 1SWG BTN 8.59375
105 1Y2F WAI 8.63309
106 3ATY FMN 8.81543
107 2W5P CL8 9.39597
108 1Q6O LG6 9.72222
109 4AMF ACP 9.91736
110 3SK2 GRI 10.6061
111 3R1Z ALA DGL 12.3967
112 2FKA BEF 13.9535
113 3FGZ BEF 14.0625
114 4M26 AKG 14.5604
115 2BES RES 17.4419
116 4IF4 BEF 18.2692
Pocket No.: 2; Query (leader) PDB : 1ADO; Ligand: 13P; Similar sites found with APoc: 28
This union binding pocket(no: 2) in the query (biounit: 1ado.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1XXA ARG None
2 4WG0 CHD None
3 5ARK UMP None
4 1OJK GLC BGC 1.37741
5 1OJJ GLC GAL 1.37741
6 4UXU MLK 2.75229
7 2NW9 FT6 3.26797
8 1R6W 164 3.41615
9 3CXO 1N5 3.61446
10 1JJ7 ADP 3.84615
11 2QUN FUD 4.13793
12 3UXL CFI 4.40771
13 3WCZ CIT 4.54545
14 2P69 PLP 4.57516
15 3B6C SDN 4.70085
16 5LUN OGA 5.39773
17 3QMN A3P 5.42636
18 1M3U KPL 5.68182
19 4U00 ADP 5.7377
20 4JGT PYR 6.35452
21 3B5J 12D 6.99588
22 1J2Z SOG 7.40741
23 1JQY A32 7.76699
24 1JW0 GUA 8.86076
25 1RL4 BL5 11.7021
26 2OFE NAG 12.6761
27 5Y4R C2E 13.1034
28 4LKK SIA GAL 25.5952
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