Receptor
PDB id Resolution Class Description Source Keywords
2XBL 1.62 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF GMHA FROM BURKHOLDERIA PSEUDOMALLEI IN WITH PRODUCT BURKHOLDERIA PSEUDOMALLEI CAPSULE ISOMERASE
Ref.: THE STRUCTURE OF SEDOHEPTULOSE-7-PHOSPHATE ISOMERAS BURKHOLDERIA PSEUDOMALLEI REVEALS A ZINC BINDING SI HEART OF THE ACTIVE SITE. J.MOL.BIOL. V. 400 379 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M7P A:1198;
B:1197;
C:1197;
D:1199;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
290.162 C7 H15 O10 P C([C@...
PEG D:1200;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
PG4 A:1199;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
PGE C:1198;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
ZN A:1197;
B:1196;
C:1196;
D:1198;
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
5LU5 1.55 Å EC: 5.3.1.- A QUANTUM HALF-SITE ENZYME BURKHOLDERIA PSEUDOMALLEI COOPERATIVITY ENZYME KINETICS HYDROGEN BONDS MOLECULAR MOQUANTUM MECHANICS ISOMERASE
Ref.: A HALF-SITE MULTIMERIC ENZYME ACHIEVES ITS COOPERAT WITHOUT CONFORMATIONAL CHANGES. SCI REP V. 7 16529 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 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....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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....
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 : 5LU5; 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: 5lu5.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5LU5; 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: 5lu5.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5LU5; 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: 5lu5.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5LU5; 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: 5lu5.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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