Receptor
PDB id Resolution Class Description Source Keywords
2PO3 2.1 Å EC: 7.-.-.- CRYSTAL STRUCTURE ANALYSIS OF DESI IN THE PRESENCE OF ITS TDP-SUGAR PRODUCT STREPTOMYCES VENEZUELAE EXTERNAL ALDIMINE PLP AMINOTRANSFERASE TDP-SUGAR
Ref.: MOLECULAR ARCHITECTURE OF DESI: A KEY ENZYME IN THE BIOSYNTHESIS OF DESOSAMINE BIOCHEMISTRY V. 46 8999 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
T4K A:1500;
B:2500;
 Valid;
Valid;
 none;
none;
 submit data
776.471 C24 H35 N4 O19 P3 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PO3 2.1 Å EC: 7.-.-.- CRYSTAL STRUCTURE ANALYSIS OF DESI IN THE PRESENCE OF ITS TDP-SUGAR PRODUCT STREPTOMYCES VENEZUELAE EXTERNAL ALDIMINE PLP AMINOTRANSFERASE TDP-SUGAR
Ref.: MOLECULAR ARCHITECTURE OF DESI: A KEY ENZYME IN THE BIOSYNTHESIS OF DESOSAMINE BIOCHEMISTRY V. 46 8999 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 2PO3 - T4K C24 H35 N4 O19 P3 Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 2PO3 - T4K C24 H35 N4 O19 P3 Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 2PO3 - T4K C24 H35 N4 O19 P3 Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: T4K; Similar ligands found: 36
No: Ligand ECFP6 Tc MDL keys Tc
1 T4K 1 1
2 T5K 1 1
3 TQP 0.830645 0.987805
4 7SG 0.830645 0.987805
5 TRH 0.603306 0.890244
6 18T 0.603306 0.890244
7 1JB 0.603306 0.890244
8 0FX 0.584 0.891566
9 4TG 0.578125 0.902439
10 T3Q 0.568 0.891566
11 T3F 0.568 0.891566
12 DAU 0.56 0.86747
13 MMF 0.559055 0.891566
14 1YF 0.55814 0.902439
15 FNF 0.55814 0.902439
16 T46 0.551181 0.890244
17 QDM 0.550388 0.858824
18 4RA 0.549669 0.926829
19 TDX 0.539683 0.878049
20 3R2 0.515625 0.857143
21 0N2 0.515385 0.880952
22 FUH 0.514493 0.891566
23 QUH 0.514493 0.891566
24 TTP 0.508333 0.853659
25 TYD 0.5 0.853659
26 DWN 0.496183 0.869048
27 3YN 0.496183 0.86747
28 UD0 0.475 0.915663
29 TMP 0.470085 0.841463
30 AKM 0.467153 0.872093
31 JHZ 0.467153 0.848837
32 TLO 0.461538 0.878049
33 O1G 0.456693 0.719512
34 9RC 0.425373 0.8
35 T5A 0.42 0.852273
36 TTP MG 0.410853 0.807229
Similar Ligands (3D)
Ligand no: 1; Ligand: T4K; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PO3; Ligand: T4K; Similar sites found with APoc: 11
This union binding pocket(no: 1) in the query (biounit: 2po3.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5K8B PDG 31.0174
2 5K8B PDG 31.0174
3 4K2M O1G 38.2075
4 4K2M O1G 38.2075
5 6EWR PMP 44.1038
6 6EWR PMP 44.1038
7 6EWR PMP 44.1038
8 6EWR PMP 44.1038
9 2FNU PMP UD1 44.2667
10 2FNU PMP UD1 44.2667
11 3NUB UD0 48.468
Pocket No.: 2; Query (leader) PDB : 2PO3; Ligand: T4K; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 2po3.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 5K8B PDG 31.0174
2 4K2M O1G 38.2075
3 4K2M O1G 38.2075
4 6EWR PMP 44.1038
5 6EWR PMP 44.1038
6 6EWR PMP 44.1038
7 6EWR PMP 44.1038
8 2FNU PMP UD1 44.2667
9 2FNU PMP UD1 44.2667
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