Receptor
PDB id Resolution Class Description Source Keywords
6a6s 1.85 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF THE MODIFIED FRUCTOSYL PEPTIDE OXIDASE ASPERGILLUS NIDULANS IN COMPLEX WITH FSA, SELENO-METHIONINED ERIVATIVE ASPERGILLUS NIDULANS FRUCTOSYL PEPTIDE OXIDOREDUCTASE ASPERGILLUS NIDULANS FADPROTEIN
Ref.: CREATION OF HAEMOGLOBIN A1C DIRECT OXIDASE FROM FRU PEPTIDE OXIDASE BY COMBINED STRUCTURE-BASED SITE SP MUTAGENESIS AND RANDOM MUTAGENESIS. SCI REP V. 9 942 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:506;
A:508;
A:505;
A:507;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
FSA A:502;
 Valid;
 none;
 submit data
254.258 C8 H14 O7 S C1[C@...
D1D A:503;
A:504;
 Invalid;
Invalid;
 none;
none;
 submit data
152.235 C4 H8 O2 S2 C1[C@...
FAD A:501;
 Invalid;
 none;
 submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6A6S 1.85 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF THE MODIFIED FRUCTOSYL PEPTIDE OXIDASE ASPERGILLUS NIDULANS IN COMPLEX WITH FSA, SELENO-METHIONINED ERIVATIVE ASPERGILLUS NIDULANS FRUCTOSYL PEPTIDE OXIDOREDUCTASE ASPERGILLUS NIDULANS FADPROTEIN
Ref.: CREATION OF HAEMOGLOBIN A1C DIRECT OXIDASE FROM FRU PEPTIDE OXIDASE BY COMBINED STRUCTURE-BASED SITE SP MUTAGENESIS AND RANDOM MUTAGENESIS. SCI REP V. 9 942 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 6A6U - FSA C8 H14 O7 S C1[C@H]([C....
2 6A6S - FSA C8 H14 O7 S C1[C@H]([C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 6A6U - FSA C8 H14 O7 S C1[C@H]([C....
2 6A6S - FSA C8 H14 O7 S C1[C@H]([C....
3 4RSL - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 6A6U - FSA C8 H14 O7 S C1[C@H]([C....
2 6A6S - FSA C8 H14 O7 S C1[C@H]([C....
3 4RSL - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FSA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 FSA 1 1
2 SOE 0.458333 0.885714
3 BDF 0.458333 0.885714
4 F1P 0.428571 0.688889
5 SNW 0.421875 0.627451
Similar Ligands (3D)
Ligand no: 1; Ligand: FSA; Similar ligands found: 14
No: Ligand Similarity coefficient
1 TL5 0.9048
2 M7P 0.8927
3 0B3 0.8908
4 8BD 0.8809
5 2OR 0.8776
6 SNR 0.8767
7 IPE 0.8669
8 J5B 0.8665
9 GXG 0.8649
10 BTN 0.8636
11 SB7 0.8635
12 VHH 0.8629
13 6FR 0.8592
14 IPR 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6A6S; Ligand: FSA; 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: 6a6s.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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