Receptor
PDB id Resolution Class Description Source Keywords
1TD2 2.22 Å EC: 2.7.1.35 CRYSTAL STRUCTURE OF THE PDXY PROTEIN FROM ESCHERICHIA COLI ESCHERICHIA COLI PYRIDOXAL KINASE RIBOKINASE FAMILY KINASE PHOSPHORYLATION PDXY TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE PDXY PROTEIN FROM ESCHERICHIA COLI J.BACTERIOL. V. 186 8074 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PXL A:288;
B:289;
Valid;
Valid;
none;
none;
submit data
167.162 C8 H9 N O3 Cc1c(...
SO4 B:288;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TD2 2.22 Å EC: 2.7.1.35 CRYSTAL STRUCTURE OF THE PDXY PROTEIN FROM ESCHERICHIA COLI ESCHERICHIA COLI PYRIDOXAL KINASE RIBOKINASE FAMILY KINASE PHOSPHORYLATION PDXY TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE PDXY PROTEIN FROM ESCHERICHIA COLI J.BACTERIOL. V. 186 8074 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1TD2 - PXL C8 H9 N O3 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 4 families.
1 1TD2 - PXL C8 H9 N O3 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 3 families.
1 1TD2 - PXL C8 H9 N O3 Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PXL; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 PXL 1 1
2 PLP 0.541667 0.659574
3 UEG 0.465116 0.837838
4 PXM 0.434783 0.690476
5 GT0 0.408163 0.756098
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TD2; Ligand: PXL; Similar sites found: 29
This union binding pocket(no: 1) in the query (biounit: 1td2.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CPB GAL CN8 0.01324 0.40065 None
2 4Q0L V14 0.01939 0.41421 1.52091
3 1ZAP A70 0.04454 0.40022 1.74216
4 5AVF TAU 0.001034 0.44534 1.94553
5 2X4Z X4Z 0.03906 0.40777 2.43902
6 2OFV 242 0.04803 0.40388 2.52708
7 5EY0 ILE 0.006688 0.40529 2.55474
8 5T9E NAP 0.03452 0.4037 2.58303
9 2CUL FAD 0.04938 0.4042 3.01724
10 1QG6 TCL 0.04793 0.41199 3.06513
11 1QG6 NAD 0.04793 0.41199 3.06513
12 4USF 6UI 0.02896 0.40362 3.13589
13 4BKJ STI 0.04405 0.40164 3.13589
14 1VBO MAN 0.01354 0.40354 3.3557
15 1XDY MTE 0.02299 0.40059 3.3557
16 4K26 NDP 0.03755 0.40653 3.48432
17 2XTS MTE 0.02847 0.40096 4.87805
18 1T0S BML 0.01426 0.40732 5.22648
19 1UTJ ABN 0.02287 0.4059 6.61157
20 3AKK ADP 0.007546 0.42314 6.62021
21 1RSG FAD 0.03034 0.4223 6.62021
22 5M3E APR 0.03645 0.40243 6.66667
23 5G5G FAD 0.03738 0.41639 6.96864
24 3JDW ORN 0.04019 0.41106 8.01394
25 5U98 1KX 0.03772 0.42648 10.101
26 1E6E FAD 0.03028 0.41688 13.2812
27 5N53 8NB 0.006091 0.41934 15.8974
28 3B1Q NOS 0.02026 0.4034 16.7247
29 4I9B 1KA 0.01053 0.40419 18.4669
Pocket No.: 2; Query (leader) PDB : 1TD2; Ligand: PXL; 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: 1td2.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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