Receptor
PDB id Resolution Class Description Source Keywords
4UTU 1.45 Å EC: 5.1.3.9 STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF THE N- ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE FROM CLOSTRIDIUM P ERFRINGENS CLOSTRIDIUM PERFRINGENS STR. 13 ISOMERASE SUGAR 2-EPIMERASE SIALIC ACID SUGAR PHOSPHATE MECHANISM CARBOHYDRATE MUTAGENESIS 1H NMR SPECTROSCOPY
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF THE CLOSTRIDIUM PERFRINGENS N-ACETYLMANNOSAMINE-6-PHOSP 2-EPIMERASE ESSENTIAL FOR THE SIALIC ACID SALVAGE P J.BIOL.CHEM. V. 289 35215 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LRY B:301;
A:301;
Valid;
Valid;
none;
none;
submit data
301.188 C8 H16 N O9 P CC(=O...
CL B:1221;
A:1221;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UTU 1.45 Å EC: 5.1.3.9 STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF THE N- ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE FROM CLOSTRIDIUM P ERFRINGENS CLOSTRIDIUM PERFRINGENS STR. 13 ISOMERASE SUGAR 2-EPIMERASE SIALIC ACID SUGAR PHOSPHATE MECHANISM CARBOHYDRATE MUTAGENESIS 1H NMR SPECTROSCOPY
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF THE CLOSTRIDIUM PERFRINGENS N-ACETYLMANNOSAMINE-6-PHOSP 2-EPIMERASE ESSENTIAL FOR THE SIALIC ACID SALVAGE P J.BIOL.CHEM. V. 289 35215 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4UTU - LRY C8 H16 N O9 P CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4UTU - LRY C8 H16 N O9 P CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4UTU - LRY C8 H16 N O9 P CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LRY; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 LRY 1 1
2 RFW 0.729167 0.931818
3 MN9 0.608696 0.727273
4 M2P 0.52381 0.727273
5 GOS 0.52381 0.727273
6 G6Q 0.520833 0.767442
7 6PG 0.48 0.75
8 LG6 0.48 0.75
9 R52 0.479167 0.767442
10 R5P 0.479167 0.767442
11 S6P 0.468085 0.688889
12 I22 0.461538 0.733333
13 22H 0.460317 0.877551
14 KD0 0.45283 0.75
15 LX1 0.446809 0.727273
16 PA5 0.44 0.75
17 R10 0.44 0.75
18 H4P 0.436364 0.770833
19 PAN 0.433962 0.893617
20 M6R 0.431373 0.787234
21 AGP 0.431373 0.787234
22 DXP 0.428571 0.727273
23 9C2 0.425926 0.875
24 E4P 0.425532 0.72093
25 TG6 0.423077 0.733333
26 F6R 0.423077 0.733333
27 TX4 0.42 0.851064
28 DG6 0.42 0.659574
29 LXP 0.416667 0.673913
30 A5P 0.416667 0.673913
31 DX5 0.416667 0.673913
32 2FP 0.407407 0.75
33 P6F 0.407407 0.75
34 P6T 0.407407 0.75
35 1NT 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UTU; Ligand: LRY; 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: 4utu.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4UTU; Ligand: LRY; 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: 4utu.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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