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;
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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 250 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 217 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 181 families.
1 2PO3 - T4K C24 H35 N4 O19 P3 Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: T4K; Similar ligands found: 34
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 1JB 0.603306 0.890244
6 TRH 0.603306 0.890244
7 18T 0.603306 0.890244
8 0FX 0.584 0.891566
9 4TG 0.578125 0.902439
10 T3F 0.568 0.891566
11 T3Q 0.568 0.891566
12 DAU 0.56 0.86747
13 MMF 0.559055 0.891566
14 FNF 0.55814 0.902439
15 1YF 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 3YN 0.496183 0.86747
27 DWN 0.496183 0.869048
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 T5A 0.42 0.852273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PO3; Ligand: T4K; Similar sites found: 39
This union binding pocket(no: 1) in the query (biounit: 2po3.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RKC PMP 0.001719 0.46136 1.50754
2 2R2N PMP 0.0006377 0.48759 1.88679
3 5IWQ PLP 0.003008 0.45392 1.88679
4 5X30 4LM 0.005095 0.43056 2.12264
5 5X30 7XF 0.005804 0.42438 2.12264
6 4JE5 PMP 0.01183 0.42815 2.59434
7 4JE5 PLP 0.01199 0.42784 2.59434
8 4BA5 PXG 0.003635 0.44134 2.83224
9 2P1E LAC 0.01689 0.42637 3.53698
10 1UU1 PMP HSA 0.003025 0.43031 3.58209
11 3EI9 PL6 0.004401 0.4169 4.39815
12 4ZM4 PLP 0.02489 0.40443 4.71698
13 4OXX FMN 0.01852 0.40114 4.93827
14 5U83 ZN8 0.03301 0.4128 5.18868
15 4UHO PLP 0.03312 0.41272 6.36792
16 4IY7 KOU 0.001236 0.45125 9.06801
17 4IY7 0JO 0.001396 0.44888 9.06801
18 4YEE 4CQ 0.03013 0.41497 11.1111
19 1GCK ASP PLP 0.00782 0.41518 11.9481
20 4R5Z PMP 0.002863 0.42804 12.2616
21 4R5Z SIN 0.006174 0.4 12.2616
22 1DJ9 KAM 0.002217 0.45161 13.8021
23 4WXG 2BO 0.008627 0.40445 18.3962
24 5W70 9YM 0.00000005368 0.49563 25.2358
25 5K8B PDG 0.000000001984 0.5454 31.0174
26 5W71 9YM 0.000007458 0.50058 32.3113
27 5W71 PLP 0.00000001626 0.4919 32.3113
28 1B9I PXG 0.00000009812 0.50082 35.3093
29 3B8X G4M 0.000000002872 0.61436 36.6667
30 4ZAH T5K 0.00000004342 0.60417 37.6263
31 4K2M O1G 0.000000001369 0.55514 38.2075
32 2OGA PGU 0.00000006 0.50177 39.3484
33 1O69 X04 0.000004541 0.43432 42.3858
34 2FNU PMP UD1 0.0000000000001715 0.77194 44.2667
35 3FRK TQP 0.0000000003495 0.63111 46.9169
36 1MDZ DCS 0.0007634 0.44953 47.3282
37 1MDZ PLP 0.0007367 0.44878 47.3282
38 5U23 TQP 0.000000001767 0.60681 48.1675
39 3NUB UD0 0.0000000001516 0.67993 48.468
Pocket No.: 2; Query (leader) PDB : 2PO3; Ligand: T4K; 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: 2po3.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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