Receptor
PDB id Resolution Class Description Source Keywords
3L8G 2.18 Å EC: 3.1.3.- CRYSTAL STRUCTURE OF D,D-HEPTOSE 1.7-BISPHOSPHATE PHOSPHATASE FROM E. COLI COMPLEXED WITH D-GLYCERO-D-MANNO- H EPTOSE 1 ,7-BISPHOSPHATE ESCHERICHIA COLI HAD SUPERFAMILY GMHB D-GLYCERO-D-MANNO-HEPTOSE-1 7- BISPHOSPHATE PHOSPHATASE CARBOHYDRATE METABOLISM CYTOPLASM HYDROLASE LIPOPOLYSACCHARIDE BIOSYNTHESIS
Ref.: STRUCTURAL DETERMINANTS OF SUBSTRATE RECOGNITION IN THE HAD SUPERFAMILY MEMBER D-GLYCERO-D-MANNO-HEPTOSE-1,7-BISPHOSPHATE PHOSPHATASE (GMHB) . BIOCHEMISTRY V. 49 1082 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GMB A:3523;
Valid;
none;
submit data
370.142 C7 H16 O13 P2 C([C@...
MG A:188;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NA A:190;
Part of Protein;
none;
submit data
22.99 Na [Na+]
ZN A:189;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L8G 2.18 Å EC: 3.1.3.- CRYSTAL STRUCTURE OF D,D-HEPTOSE 1.7-BISPHOSPHATE PHOSPHATASE FROM E. COLI COMPLEXED WITH D-GLYCERO-D-MANNO- H EPTOSE 1 ,7-BISPHOSPHATE ESCHERICHIA COLI HAD SUPERFAMILY GMHB D-GLYCERO-D-MANNO-HEPTOSE-1 7- BISPHOSPHATE PHOSPHATASE CARBOHYDRATE METABOLISM CYTOPLASM HYDROLASE LIPOPOLYSACCHARIDE BIOSYNTHESIS
Ref.: STRUCTURAL DETERMINANTS OF SUBSTRATE RECOGNITION IN THE HAD SUPERFAMILY MEMBER D-GLYCERO-D-MANNO-HEPTOSE-1,7-BISPHOSPHATE PHOSPHATASE (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 7 families.
1 3L8G - GMB C7 H16 O13 P2 C([C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3L8G - GMB C7 H16 O13 P2 C([C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3L8G - GMB C7 H16 O13 P2 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GMB; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GMB 1 1
2 M7P 0.576923 0.97561
3 G1P 0.433962 0.928571
4 XGP 0.433962 0.928571
5 M1P 0.433962 0.928571
6 GL1 0.433962 0.928571
7 R1P 0.403846 0.840909
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L8G; Ligand: GMB; Similar sites found: 64
This union binding pocket(no: 1) in the query (biounit: 3l8g.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QH9 LAC 0.00005615 0.48471 None
2 5AHO TLA 0.0008576 0.40897 None
3 5JFS 6K0 0.04498 0.40927 1.06952
4 4IF4 BEF 0.0005441 0.4163 1.60428
5 1RQL VSO 0.0001808 0.46616 2.13904
6 2B82 ADN 0.01246 0.41954 2.13904
7 3EYA FAD 0.03039 0.41579 2.13904
8 4U0I 0LI 0.03083 0.41001 2.13904
9 2CWH PYC 0.02614 0.41726 2.6738
10 2CWH NDP 0.02144 0.41726 2.6738
11 4N14 WR7 0.008926 0.40979 2.6738
12 4L6C 0BT 0.000001675 0.62081 3.20856
13 3OCZ SRA 0.0001695 0.50848 3.20856
14 2DKH FAD 0.0264 0.41703 3.20856
15 2DKH 3HB 0.03385 0.41703 3.20856
16 1RP0 AHZ 0.04157 0.40523 3.20856
17 3EF0 ALF 0.000007055 0.5046 3.74332
18 3WG6 NDP 0.04271 0.40121 3.74332
19 1L7N ALF 0.00001463 0.47284 4.27807
20 1L7P SEP 0.0003464 0.46191 4.27807
21 1KNR FAD 0.01686 0.43466 4.27807
22 1N4W FAD 0.02642 0.42649 4.27807
23 4L2I FAD 0.02431 0.42108 4.27807
24 3VHE 42Q 0.02555 0.41319 4.27807
25 2RAB FAD 0.04834 0.41257 4.27807
26 2F5Z FAD 0.04907 0.41221 4.27807
27 1L7N AF3 0.0002676 0.41204 4.27807
28 2CUL FAD 0.04997 0.40392 4.27807
29 4J75 TYM 0.03709 0.40329 4.27807
30 1LBZ FBP 0.02772 0.40156 4.27807
31 3K87 FAD 0.03581 0.40876 4.32432
32 4EUU BX7 0.02626 0.40868 4.70219
33 4YNU FAD 0.0219 0.43186 5.34759
34 4YNU LGC 0.02494 0.43186 5.34759
35 2OO8 RAJ 0.01584 0.41417 5.34759
36 5EB4 FAD 0.04717 0.40989 5.34759
37 5UKL SIX 0.0101 0.43196 5.60472
38 4BKJ STI 0.01764 0.42301 5.88235
39 3G6K POP 0.04139 0.40424 5.88235
40 3G6K FAD 0.03844 0.40367 5.88235
41 2YN4 39J 0.000007905 0.52118 6.41711
42 2FY3 CHT 0.01354 0.43156 6.41711
43 4HA6 FAD 0.02542 0.42742 6.95187
44 2OFV 242 0.01961 0.42511 6.95187
45 1YNS HPO 0.002385 0.41435 6.95187
46 3FGZ BEF 0.0004923 0.40403 7.03125
47 1E6E FAD 0.0363 0.41255 7.8125
48 1GTE FMN 0.01923 0.42557 8.55615
49 2RCU BUJ 0.02991 0.42957 9.09091
50 2FKA BEF 0.00003426 0.44244 9.30233
51 3OJO NAD 0.01352 0.42091 10.1604
52 3GD4 FAD 0.04259 0.42408 11.7647
53 3KMT SAH 0.01446 0.40683 11.7647
54 3AD8 NAD 0.02144 0.423 12.1212
55 3SJ7 NDP 0.03518 0.40574 13.9037
56 1TE2 PGA 0.0005478 0.44249 14.4385
57 3A1C ACP 0.007246 0.43167 14.9733
58 1Y57 MPZ 0.02961 0.40163 16.0428
59 2BOS GLA GAL GLC NBU 0.002182 0.40482 16.1765
60 2BOS GLA GAL GLC 0.002418 0.40304 16.1765
61 1L5Y BEF 0.00003141 0.44317 17.6471
62 2P69 PLP 0.000003549 0.57921 19.7861
63 2RBK VN4 0.000394 0.43478 20.3209
64 2FPU HSO 0.0000006784 0.54547 40.3409
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