Receptor
PDB id Resolution Class Description Source Keywords
2HK1 2.3 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF D-PSICOSE 3-EPIMERASE (DPEASE) IN THE P D-FRUCTOSE AGROBACTERIUM TUMEFACIENS TIM-BARREL ISOMERASE
Ref.: CRYSTAL STRUCTURE OF D-PSICOSE 3-EPIMERASE FROM AGROBACTERIUM TUMEFACIENS AND ITS COMPLEX WITH TRUE SUBSTRATE D-FRUCTOSE: A PIVOTAL ROLE OF METAL IN CA AN ACTIVE SITE FOR THE NON-PHOSPHORYLATED SUBSTRATE CONFORMATIONAL CHANGES J.MOL.BIOL.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUD A:1300;
B:1301;
C:1302;
D:1303;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
180.156 C6 H12 O6 C([C@...
MN A:1004;
B:1002;
C:1003;
D:1001;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HK1 2.3 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF D-PSICOSE 3-EPIMERASE (DPEASE) IN THE P D-FRUCTOSE AGROBACTERIUM TUMEFACIENS TIM-BARREL ISOMERASE
Ref.: CRYSTAL STRUCTURE OF D-PSICOSE 3-EPIMERASE FROM AGROBACTERIUM TUMEFACIENS AND ITS COMPLEX WITH TRUE SUBSTRATE D-FRUCTOSE: A PIVOTAL ROLE OF METAL IN CA AN ACTIVE SITE FOR THE NON-PHOSPHORYLATED SUBSTRATE CONFORMATIONAL CHANGES J.MOL.BIOL.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2HK1 - FUD C6 H12 O6 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 5 families.
1 2HK1 - FUD C6 H12 O6 C([C@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2HK1 - FUD C6 H12 O6 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUD; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 PSJ 1 1
2 SOL 1 1
3 TAG 1 1
4 LPK 1 1
5 SDD 1 1
6 FUD 1 1
7 RBL 0.551724 0.956522
8 XUL 0.551724 0.956522
9 QDK 0.551724 0.956522
10 TG6 0.5 0.628571
11 F6R 0.5 0.628571
12 3MF 0.432432 0.846154
13 5FX 0.424242 0.88
14 LER 0.413793 0.956522
15 CS2 0.411765 0.913043
16 GCO 0.411765 0.913043
17 I22 0.404762 0.628571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HK1; Ligand: FUD; Similar sites found: 25
This union binding pocket(no: 1) in the query (biounit: 2hk1.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2RHW C0E 0.009816 0.43063 2.12014
2 3GGO ENO 0.0453 0.40794 2.26537
3 3GGO NAI 0.0453 0.40794 2.26537
4 3GMB FAD 0.03468 0.40446 2.26537
5 2HSA FMN 0.03505 0.40189 2.26537
6 3ATY FMN 0.02853 0.40134 2.589
7 1ME8 RVP 0.02007 0.42238 2.91262
8 1XIM XYL 0.004664 0.42148 2.91262
9 1XPK HMG 0.02726 0.40761 2.91262
10 2BLE 5GP 0.0334 0.40177 2.91262
11 4A8T PAO 0.01758 0.4022 2.94985
12 1DE6 RNS 0.001763 0.44437 3.23625
13 1IOW PHY 0.03283 0.40792 3.26797
14 5ITV NAI 0.03864 0.40198 3.52941
15 1OF8 G3P 0.01381 0.40335 3.55987
16 1OF8 PEP 0.01126 0.40058 3.55987
17 2TPS TPS 0.02061 0.40999 4.40529
18 3OVR 5SP 0.02634 0.40018 4.82456
19 3EPO MP5 0.02009 0.40115 7.11974
20 1VYP FMN 0.0295 0.40197 7.76699
21 1VYP TNF 0.02773 0.40197 7.76699
22 5KGS 6SR 0.03906 0.41312 8.09062
23 2WYA HMG 0.03585 0.4037 8.09062
24 3DX5 DHB 0.0005314 0.4535 8.74126
25 5H1W LER 0.00000002177 0.53131 18.9655
Pocket No.: 2; Query (leader) PDB : 2HK1; Ligand: FUD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2hk1.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2HK1; Ligand: FUD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2hk1.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2HK1; Ligand: FUD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2hk1.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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