Receptor
PDB id Resolution Class Description Source Keywords
1X92 2.3 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PHOSPHOHEPTOSE I IN COMPLEX WITH REACTION PRODUCT D-GLYCERO-D-MANNOPYRANOSE-P HOSPHATE PSEUDOMONAS AERUGINOSA MIDWEST CENTRE FOR STRUCTURAL GENOMICS SIS DOMAIN A/B PROTLIPOPOLYSACCHARIDE BIOSYNTHESIS PSI PROTEIN STRUCTURE INIMIDWEST 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 I IN COMPLEX WITH REACTION PRODUCT D-GLYCERO-D-MANNOPYRANOSE-P HOSPHATE PSEUDOMONAS AERUGINOSA MIDWEST CENTRE FOR STRUCTURAL GENOMICS SIS DOMAIN A/B PROTLIPOPOLYSACCHARIDE BIOSYNTHESIS PSI PROTEIN STRUCTURE INIMIDWEST 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 30 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 29 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 1 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 (2D)
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
3 289 0.511111 0.658537
4 GMH 0.511111 0.658537
5 S7P 0.421053 0.863636
6 OI7 0.4 0.863636
Similar Ligands (3D)
Ligand no: 1; Ligand: M7P; Similar ligands found: 30
No: Ligand Similarity coefficient
1 M6P 0.9226
2 G6P 0.9027
3 GLP 0.8986
4 FSA 0.8927
5 M6D 0.8922
6 BG6 0.8915
7 F6R 0.8863
8 ONZ 0.8854
9 F6P 0.8816
10 E9S 0.8777
11 S8G 0.8754
12 MD6 0.8744
13 3LJ 0.8727
14 164 0.8706
15 J5B 0.8698
16 I22 0.8690
17 R10 0.8683
18 LAH 0.8681
19 RBV 0.8680
20 Q5M 0.8675
21 H35 0.8652
22 1ER 0.8642
23 KYN 0.8590
24 HIS PRO 0.8575
25 5ER 0.8570
26 PA5 0.8563
27 8MP 0.8557
28 F1P 0.8537
29 IAG 0.8528
30 B2E 0.8515
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1x92.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1x92.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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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