Receptor
PDB id Resolution Class Description Source Keywords
4XFM 1.55 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A DOMAIN OF UNKNOWN FUNCTION (DUF1537) PECTOBACTERIUM ATROSEPTICUM (ECA3761), TARGET EFI-511609, WD -THREONATE, DOMAIN SWAPPED DIMER PECTOBACTERIUM ATROSEPTICUM ENZYME FUNCTION INITIATIVE EFI STRUCTURAL GENOMICS UNKNOWFUNCTION
Ref.: ASSIGNMENT OF FUNCTION TO A DOMAIN OF UNKNOWN FUNCT DUF1537 IS A NEW KINASE FAMILY IN CATABOLIC PATHWAY ACID SUGARS. PROC.NATL.ACAD.SCI.USA V. 113 E4161 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
THE A:501;
Valid;
none;
submit data
135.095 C4 H7 O5 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XFM 1.55 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A DOMAIN OF UNKNOWN FUNCTION (DUF1537) PECTOBACTERIUM ATROSEPTICUM (ECA3761), TARGET EFI-511609, WD -THREONATE, DOMAIN SWAPPED DIMER PECTOBACTERIUM ATROSEPTICUM ENZYME FUNCTION INITIATIVE EFI STRUCTURAL GENOMICS UNKNOWFUNCTION
Ref.: ASSIGNMENT OF FUNCTION TO A DOMAIN OF UNKNOWN FUNCT DUF1537 IS A NEW KINASE FAMILY IN CATABOLIC PATHWAY ACID SUGARS. PROC.NATL.ACAD.SCI.USA V. 113 E4161 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4XFM - THE C4 H7 O5 C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4XFM - THE C4 H7 O5 C([C@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4XFM - THE C4 H7 O5 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: THE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 THE 1 1
2 DXG 0.482759 0.791667
3 RBL 0.481481 0.8
4 QDK 0.481481 0.8
5 XUL 0.481481 0.8
6 GLR 0.466667 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XFM; Ligand: THE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4xfm.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4XFM; Ligand: THE; Similar sites found: 21
This union binding pocket(no: 2) in the query (biounit: 4xfm.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XIQ MLC 0.04232 0.40105 1.50862
2 2F5Z FAD 0.008633 0.45222 1.93966
3 4F06 PHB 0.0175 0.41591 2.15517
4 1J17 ZEN 0.01247 0.41492 2.24215
5 2OQ5 BEN 0.00637 0.40432 2.58621
6 2PEL LBT 0.009085 0.40693 2.9661
7 5AOG IAC 0.006084 0.41394 3.23276
8 1R18 SAH 0.02471 0.40619 3.52423
9 2BME GNP 0.02723 0.4086 3.76344
10 2WME NAP 0.02664 0.40081 3.87931
11 3KFL ME8 0.02927 0.40813 4.09483
12 2B4G FMN 0.02379 0.41149 4.10095
13 1L7N AF3 0.009723 0.40392 4.2654
14 2WPF FAD 0.03585 0.44085 4.31034
15 1WRA PC 0.007507 0.40999 4.54545
16 3IWJ NAD 0.02233 0.40481 5.96421
17 3BIY 01K 0.03456 0.40118 6.05263
18 3N5O GSH 0.01147 0.41957 6.38298
19 4KVX ACO 0.03614 0.4042 7.05128
20 2GZ3 NAP 0.02775 0.43016 7.10383
21 2BDG PBZ 0.0141 0.40089 12.1076
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