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Receptor
PDB id Resolution Class Description Source Keywords
1X92 2.3 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PHOSPHOHEPTOSE ISOMERASE IN COMPLEX WITH REACTION PRODUCT D-GLYCERO-D- M ANNOPYRANOSE-7-PHOSPHATE PSEUDOMONAS AERUGINOSA MIDWEST CENTRE FOR STRUCTURAL GENOMICS SIS DOMAIN A/B PROTEIN LIPOPOLYSACCHARIDE BIOSYNTHESIS PSI PROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG ISOMERASE
Ref.: STRUCTURE AND FUNCTION OF SEDOHEPTULOSE-7-PHOSPHATE ISOMERASE, A CRITICAL ENZYME FOR LIPOPOLYSACCHARIDE BIOSYNTHESIS AND A TARGET FOR ANTIBIOTIC ADJUVANTS. J.BIOL.CHEM. V. 283 2835 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M7P A:302;
B:301;
Valid;
Valid;
none;
none;
submit data
290.162 C7 H15 O10 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1X92 2.3 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PHOSPHOHEPTOSE ISOMERASE IN COMPLEX WITH REACTION PRODUCT D-GLYCERO-D- M ANNOPYRANOSE-7-PHOSPHATE PSEUDOMONAS AERUGINOSA MIDWEST CENTRE FOR STRUCTURAL GENOMICS SIS DOMAIN A/B PROTEIN LIPOPOLYSACCHARIDE BIOSYNTHESIS PSI PROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG ISOMERASE
Ref.: STRUCTURE AND FUNCTION OF SEDOHEPTULOSE-7-PHOSPHATE ISOMERASE, A CRITICAL ENZYME FOR LIPOPOLYSACCHARIDE BIOSYNTHESIS AND A TARGET FOR ANTIBIOTIC ADJUVANTS. J.BIOL.CHEM. V. 283 2835 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 1X92 - M7P C7 H15 O10 P C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 1X92 - M7P C7 H15 O10 P C([C@H]([C....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5LU5 - M7P C7 H15 O10 P C([C@H]([C....
2 5LU7 - M7P C7 H15 O10 P C([C@H]([C....
3 2XBL - M7P C7 H15 O10 P C([C@H]([C....
4 5LTZ - I22 C7 H15 O10 P C([C@H]([C....
5 5LU6 - I22 C7 H15 O10 P C([C@H]([C....
6 1X92 - M7P C7 H15 O10 P C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M7P; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 M7P 1 1
2 GMB 0.576923 0.97561
3 GMH 0.511111 0.658537
4 289 0.511111 0.658537
5 S7P 0.421053 0.863636
6 OI7 0.4 0.863636
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1X92; Ligand: M7P; Similar sites found with APoc: 26
This union binding pocket(no: 1) in the query (biounit: 1x92.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3NBC LAT None
2 2O2C G6Q 1.50754
3 4LZJ 22H 2.51256
4 2ZJ3 G6P 2.51256
5 4WXJ GLU 2.51256
6 4UP4 GAL NAG 3.01508
7 4UP4 NDG 3.01508
8 4UP4 NAG 3.01508
9 1LNX URI 3.7037
10 2CXS F6P 4.52261
11 1KNM LAT 4.61538
12 4AMV F6R 5.52764
13 5ZI9 FLC 5.52764
14 1MOQ GLP 5.52764
15 1KOJ PAN 5.52764
16 2GU8 796 6.03015
17 1TE2 PGA 7.03518
18 4TQK NAG 7.53769
19 5MB4 NAG 8.54271
20 5MB4 NDG 8.54271
21 2Z48 NGA 8.54271
22 2Z48 A2G 8.54271
23 2POC BG6 10.0503
24 2ZUX RAM 14.0704
25 4IVN BMX 14.5729
26 1X9I G6Q 25.6281
Pocket No.: 2; Query (leader) PDB : 1X92; Ligand: M7P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1x92.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1X92; Ligand: M7P; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 1x92.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2J5B TYE 4.52261
2 4LY9 S6P 5.02513
3 4LY9 1YY 5.02513
4 3FXU TSU 8.19672
5 6FK3 PPI 14.0704
6 2ZQO NGA 20.7692
Pocket No.: 4; Query (leader) PDB : 1X92; Ligand: M7P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1x92.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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