-->
Receptor
PDB id Resolution Class Description Source Keywords
2QUN 2.06 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF D-TAGATOSE 3-EPIMERASE FROM PSEUDOMONAS CICHORII IN COMPLEX WITH D-FRUCTOSE PSEUDOMONAS CICHORII BETA/ALPHA BARREL ISOMERASE
Ref.: CRYSTAL STRUCTURES OF D-TAGATOSE 3-EPIMERASE FROM PSEUDOMONAS CICHORII AND ITS COMPLEXES WITH D-TAGATOSE AND D-FRUCTOSE J.MOL.BIOL. V. 374 443 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUD A:291;
B:291;
C:291;
D:291;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
MN A:292;
B:292;
C:292;
D:292;
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
2QUN 2.06 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF D-TAGATOSE 3-EPIMERASE FROM PSEUDOMONAS CICHORII IN COMPLEX WITH D-FRUCTOSE PSEUDOMONAS CICHORII BETA/ALPHA BARREL ISOMERASE
Ref.: CRYSTAL STRUCTURES OF D-TAGATOSE 3-EPIMERASE FROM PSEUDOMONAS CICHORII AND ITS COMPLEXES WITH D-TAGATOSE AND D-FRUCTOSE J.MOL.BIOL. V. 374 443 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2QUN - FUD C6 H12 O6 C([C@H]([C....
2 2QUM - TAG C6 H12 O6 C([C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2QUN - FUD C6 H12 O6 C([C@H]([C....
2 2QUM - TAG C6 H12 O6 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 3VNJ - PSJ C6 H12 O6 C([C@H]([C....
2 3VNM - SDD C6 H12 O6 C([C@H]([C....
3 3VNK - FUD C6 H12 O6 C([C@H]([C....
4 3VNL - TAG C6 H12 O6 C([C@H]([C....
5 2QUN - FUD C6 H12 O6 C([C@H]([C....
6 2QUM - TAG 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 : 2QUN; Ligand: FUD; Similar sites found with APoc: 73
This union binding pocket(no: 1) in the query (biounit: 2qun.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1ULE GLA GAL NAG None
2 2TPS TPS None
3 1DE6 RNS 1.72414
4 1FDJ 13P 2.41379
5 5Y72 DST 2.41379
6 2V58 LZJ 2.41379
7 6C0T EE4 2.41379
8 6F9G PUT 2.41379
9 2RKV ZBA 2.41379
10 1M3U KPL 2.65152
11 4UEC MGT 2.71739
12 4RW3 IPD 2.75862
13 3KB6 NAD 2.75862
14 1O68 KIV 2.90909
15 2C91 TLA 3.10345
16 1OX5 1PR 3.10345
17 2OVW CBI 3.10345
18 2QF7 AGS 3.10345
19 1GTE FMN 3.10345
20 1GTE IUR 3.10345
21 5T48 MGP 3.125
22 2R40 EPH 3.38346
23 2I56 RNS 3.44828
24 4UMA GZ3 3.44828
25 3A23 GAL 3.44828
26 3ITJ CIT 3.44828
27 5ABX MGP 3.68421
28 2GYI HYA 3.7931
29 1Y7P RIP 4.03587
30 1XLI GLT 4.13793
31 1DUV PSQ 4.13793
32 1DQS NAD 4.13793
33 1ADO 13P 4.13793
34 2XN2 GLA 4.48276
35 1IGW PYR 4.48276
36 1M5W DXP 4.52675
37 2XMY CDK 4.82759
38 5DT6 GLU 4.86891
39 2BJU IH4 5.17241
40 2YQS UD1 5.51724
41 1VJ7 GPX 5.51724
42 2VQ5 HBA 6.46766
43 5OPJ AHR 6.55172
44 5Z21 NAI 6.89655
45 4ZRN UPG 6.89655
46 5TKL G3H 6.89655
47 4I9A NCN 6.94444
48 5ZHW DAL DAL 7.01754
49 3CF6 SP1 7.18563
50 4KWI NAP 7.22433
51 4KWI 1TJ 7.22433
52 3UG4 AHR 7.24138
53 3O7U O7U 7.24138
54 2P5B OGA 8.62069
55 1JV1 UD1 8.96552
56 5NH6 XYL 9.65517
57 1L5Y BEF 9.67742
58 2OS2 OGA 10
59 5T46 MGP 10.3448
60 3T7V MD0 10.6897
61 4PTN GXV 11.0345
62 4MUS LY0 11.3744
63 3DX5 DHB 13.2867
64 4PMZ BXP 13.4483
65 1VKF CIT 14.3617
66 3L8H FX1 14.5251
67 5XFV FMN 15.5172
68 4M1U A2G MBG 15.7143
69 1EJH M7G 15.7895
70 1XIM XYL 27.931
71 5BXV MGP 34.0909
72 5H1W LER 39.3103
73 2V8W MGO 42.8571
Pocket No.: 2; Query (leader) PDB : 2QUN; Ligand: FUD; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 2qun.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1QVJ RP5 1.37931
2 2ZUX RAM 1.72414
3 4LZJ 22H 2.06897
4 1QFT HSM 2.85714
5 2RG0 CTT 3.10345
6 5IXH OTP 3.10559
7 5AVF TAU 3.11284
8 3C8F MT2 3.26531
9 2C6Q NDP 3.44828
10 1T36 ADP 3.7931
11 1DQS CRB 4.13793
12 2XG9 NOJ GLC 4.13793
13 5TPU TYD 4.31655
14 5TDU PCR 4.7619
15 5DRB 5FJ 4.82759
16 3FAL LO2 5.17241
17 3UP3 XCA 5.76132
18 1H5R G1P 7.24138
19 1L7N ALF 9.00474
20 5A5W GUO 9.88142
21 4DJA DLZ 10.6897
22 4DJA FAD 10.6897
23 3CMJ SRT 19.3103
24 3M94 M7M 35.2941
Pocket No.: 3; Query (leader) PDB : 2QUN; Ligand: FUD; Similar sites found with APoc: 27
This union binding pocket(no: 3) in the query (biounit: 2qun.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3AY6 NAI 1.85874
2 5E1Q LAT GLA 2.06897
3 5JSP DQY 2.48756
4 5XWC 8GL 2.75862
5 5XWC NAP 2.75862
6 5XWC 2IT 2.75862
7 3KB6 LAC 2.75862
8 5I0U DCY 3
9 5B19 TLA 3.01724
10 5AOV GLV 3.44828
11 2ZCQ B65 3.44828
12 1NX4 AKG 3.663
13 3BPX SAL 4.05405
14 1OF8 PEP 4.13793
15 4B1L FRU 4.84848
16 2WSB NAD 5.11811
17 5GUD 2IT 5.17241
18 5GUD NDP 5.17241
19 4DNJ ANN 5.17241
20 1U7T TDT 5.74713
21 2XZ9 PYR 5.86207
22 2Q8E OGA 8.62069
23 2PNC CLU 8.62069
24 6CDG PRO GLY LEU TRP LYS SER 8.98204
25 2YBP 2HG 10
26 3WUC GLC GAL 16.0584
27 1X8D RNS 30.7692
Pocket No.: 4; Query (leader) PDB : 2QUN; Ligand: FUD; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 2qun.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5EOB 5QQ 1.72414
2 4ZWP M44 2.06897
3 4AMW 5DI 2.06897
4 2Q1A 2KT 2.75862
5 1LBF 137 2.83401
6 3DR4 G4M 3.44828
7 5JNN 6LM 3.68421
8 2YFO GAL 4.48276
9 2YFO GLA 4.48276
10 4E8C GAL 6.2069
11 5O2Z FLC 6.72269
12 3U6W KIV 8.96552
13 1CX9 NHP 9.65517
14 1TXR BES 11.7241
APoc FAQ
Feedback