Receptor
PDB id Resolution Class Description Source Keywords
3L8H 1.68 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF D,D-HEPTOSE 1.7-BISPHOSPHATE PHOSPHATAS BRONCHISEPTICA COMPLEXED WITH MAGNESIUM AND PHOSPHATE BORDETELLA BRONCHISEPTICA HAD SUPERFAMILY GMHB D-GLYCERO-D-MANNO-HEPTOSE-1 7-BISPHOPHOSPHATASE HYDROLASE
Ref.: STRUCTURAL DETERMINANTS OF SUBSTRATE RECOGNITION IN SUPERFAMILY MEMBER D-GLYCERO-D-MANNO-HEPTOSE-1,7-BISPHOSPHATE PHOSPHAT (GMHB) . BIOCHEMISTRY V. 49 1082 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMT A:2007;
D:2009;
Invalid;
Invalid;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
FX1 C:2006;
Valid;
none;
submit data
178.14 C6 H10 O6 C([C@...
MG A:180;
A:801;
B:802;
C:803;
D:804;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:2001;
B:2002;
B:2005;
C:2003;
D:2004;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
SAR D:2008;
Invalid;
none;
submit data
89.093 C3 H7 N O2 CNCC(...
ZN A:901;
B:902;
C:903;
D:904;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L8H 1.68 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF D,D-HEPTOSE 1.7-BISPHOSPHATE PHOSPHATAS BRONCHISEPTICA COMPLEXED WITH MAGNESIUM AND PHOSPHATE BORDETELLA BRONCHISEPTICA HAD SUPERFAMILY GMHB D-GLYCERO-D-MANNO-HEPTOSE-1 7-BISPHOPHOSPHATASE HYDROLASE
Ref.: STRUCTURAL DETERMINANTS OF SUBSTRATE RECOGNITION IN SUPERFAMILY MEMBER D-GLYCERO-D-MANNO-HEPTOSE-1,7-BISPHOSPHATE PHOSPHAT (GMHB) . BIOCHEMISTRY V. 49 1082 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 3L8H - FX1 C6 H10 O6 C([C@@H]1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 3L8H - FX1 C6 H10 O6 C([C@@H]1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 3L8H - FX1 C6 H10 O6 C([C@@H]1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FX1; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FX1 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L8H; Ligand: FX1; Similar sites found: 60
This union binding pocket(no: 1) in the query (biounit: 3l8h.bio3) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CS4 ANP 0.0425 0.41939 None
2 4CB5 93G 0.04024 0.40611 None
3 2BOS GLA GAL GLC 0.01607 0.40308 None
4 4YEE 4CQ 0.03748 0.40224 None
5 2WJH FLC 0.02846 0.40212 None
6 3LKZ SFG 0.02037 0.41562 1.67598
7 5T96 79J 0.005502 0.42633 2.23464
8 2BUC 008 0.005593 0.40442 2.23464
9 2WA2 SAM 0.02253 0.40072 2.23464
10 1Z08 GNP 0.03284 0.41873 2.35294
11 2B3D FAD 0.02351 0.4307 2.7933
12 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 0.03688 0.42995 2.7933
13 4QTB 38Z 0.04046 0.42171 2.7933
14 4JWH SAH 0.04255 0.41255 2.7933
15 3D3W NAP 0.01687 0.42696 3.35196
16 4H8N NDP 0.01325 0.42023 3.35196
17 1PR9 NAP 0.02045 0.4185 3.35196
18 2OFV 242 0.02265 0.41301 3.35196
19 2ZJ3 G6P 0.0178 0.4091 3.91061
20 1VG8 GNP 0.02192 0.40824 3.91061
21 1AFS NAP 0.009705 0.43136 4.46927
22 3H0L ADP 0.0354 0.40075 4.46927
23 1TU3 GNP 0.01888 0.42805 4.67836
24 3MJH GTP 0.01968 0.40944 4.7619
25 4YDQ ANP 0.02297 0.43229 5.02793
26 4I54 1C1 0.007045 0.42384 5.02793
27 3TTI KBI 0.03275 0.42038 5.02793
28 1KRP DT DT PST 0.009332 0.41348 5.02793
29 5ULP KB1 0.02623 0.40698 5.02793
30 1ME8 RVP 0.04467 0.40343 5.02793
31 3O0G 3O0 0.03634 0.40192 5.02793
32 4AMV F6R 0.009222 0.41883 6.14525
33 3HF6 LX0 0.008145 0.44167 6.70391
34 5L01 6Z4 0.01044 0.41476 6.70391
35 2ISJ FMN 0.02633 0.40535 6.70391
36 2POC BG6 0.01557 0.40135 7.26257
37 2W9S NDP 0.04547 0.40699 7.45342
38 4HDO GNP 0.009489 0.40427 7.82123
39 2AF6 BRU 0.01763 0.40074 7.82123
40 1OIV GDP 0.02104 0.42725 8.37989
41 3O6M PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.01545 0.42687 8.37989
42 2Y8E GNP 0.02332 0.41648 8.37989
43 4GA6 AMP 0.04196 0.41037 8.37989
44 3SFV GDP 0.01379 0.43855 8.93855
45 2WZM NA7 0.01593 0.42331 8.93855
46 1UOU CMU 0.03797 0.40988 9.49721
47 5L0U 660 0.04598 0.41509 9.52381
48 5SZH GNP 0.01447 0.44005 10.0559
49 5HDJ FMN 0.00837 0.43069 10.0559
50 2CXS F6P 0.02315 0.40275 10.0559
51 5J62 FMN 0.02593 0.40898 10.6145
52 3KRB NAP 0.029 0.41213 11.7318
53 3N2S FMN 0.008063 0.43658 12.2905
54 3EWC MCF 0.006742 0.43262 13.4078
55 2GVC FAD 0.03581 0.43051 13.4078
56 1VQW FAD 0.03485 0.42975 13.4078
57 2GV8 FAD 0.04815 0.41738 13.4078
58 2QUN FUD 0.007674 0.41625 14.5251
59 1MOQ GLP 0.01466 0.42626 15.6425
60 2GLX NDP 0.02203 0.41348 16.7598
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