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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 4 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 SDD 1 1
2 PSJ 1 1
3 FUD 1 1
4 SOL 1 1
5 LPK 1 1
6 TAG 1 1
7 QDK 0.551724 0.956522
8 RBL 0.551724 0.956522
9 XUL 0.551724 0.956522
10 F6R 0.5 0.628571
11 TG6 0.5 0.628571
12 3MF 0.432432 0.846154
13 5FX 0.424242 0.88
14 LER 0.413793 0.956522
15 GCO 0.411765 0.913043
16 CS2 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 with APoc: 42
This union binding pocket(no: 1) in the query (biounit: 2hk1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4EI7 GDP 1.94175
2 2RHW C0E 2.12014
3 2GYI HYA 2.26537
4 3GGO ENO 2.26537
5 3GGO NAI 2.26537
6 3GMB FAD 2.26537
7 2HSA FMN 2.26537
8 3ATY FMN 2.589
9 1ME8 RVP 2.91262
10 1XIM XYL 2.91262
11 1XPK HMG 2.91262
12 2BLE 5GP 2.91262
13 4A8T PAO 2.94985
14 1DE6 RNS 3.23625
15 2J5V PCA 3.23625
16 1DUV PSQ 3.23625
17 1IOW ADP 3.26797
18 1IOW PHY 3.26797
19 1OF8 G3P 3.55987
20 1OF8 PEP 3.55987
21 3GD8 GOL 3.58744
22 1PVN MZP 3.8835
23 2I56 RNS 3.8835
24 2BEK ATP 4.28016
25 2TPS TPS 4.40529
26 5ABF XRJ 4.53074
27 3OVR 5SP 4.82456
28 3H78 BE2 4.85437
29 6HL7 CP 5.17799
30 2ZUX RAM 5.50162
31 5XVR TRH 6.47249
32 3EPO MP5 7.11974
33 1VYP FMN 7.76699
34 1VYP TNF 7.76699
35 5KGS 6SR 8.09062
36 2WYA HMG 8.09062
37 1XLI GLT 8.73786
38 3DX5 DHB 8.74126
39 3ZRR PXG 9.06149
40 1EP2 FMN 9.70874
41 3TFC PEP 11.4286
42 5H1W LER 18.9655
Pocket No.: 2; Query (leader) PDB : 2HK1; Ligand: FUD; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 2hk1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4R74 F6P 1.61812
2 1L2T ATP 3.82979
3 1YBQ BDH 5.17799
4 1TLL FMN 12.945
Pocket No.: 3; Query (leader) PDB : 2HK1; Ligand: FUD; Similar sites found with APoc: 25
This union binding pocket(no: 3) in the query (biounit: 2hk1.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5MPT SAH 0.970874
2 1XSE NDP 2.0339
3 4JB0 ENO 2.589
4 3K5I ADP 2.91262
5 4X3R 686 3.23625
6 4UFH GIF 3.23625
7 4O9S 2RY 3.25581
8 4LZJ 22H 3.30033
9 4UTU LRY 3.49345
10 4UTW RFW 3.49345
11 6FU4 HSM 3.55987
12 1TXR BES 4.01338
13 3N7O N7O 4.42478
14 3ZS9 ADP ALF 4.53074
15 1ICP FMN 4.53074
16 4OOE NDP 4.70297
17 4OOE FOM 4.70297
18 4A3U FMN 4.85437
19 1JV1 UD1 5.50162
20 4K2G 1OQ 6.14887
21 4NG2 OHN 6.19469
22 5NH6 XYL 6.47249
23 5BQS 4VN 6.47249
24 2Q3R FMN 7.44337
25 3KRU FMN 7.76699
Pocket No.: 4; Query (leader) PDB : 2HK1; Ligand: FUD; Similar sites found with APoc: 6
This union binding pocket(no: 4) in the query (biounit: 2hk1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1G0C CBI 1.61812
2 5DQ8 FLF 2.91667
3 5LY1 PPI 4.20712
4 3KFC 61X 10.6719
5 4U82 FPS 11.7188
6 1ZPT FAD 22.0395
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