Receptor
PDB id Resolution Class Description Source Keywords
2XBL 1.62 Å EC: 5.3.1.28 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: 5.3.1.28 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 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....
70% Homology Family (5)
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....
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 : 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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