Receptor
PDB id Resolution Class Description Source Keywords
6r3u 1.9 Å EC: 3.-.-.- ENDO-LEVANASE BT1760 MUTANT E221A FROM BACTEROIDES THETAIOTA COMPLEXED WITH LEVANTETRAOSE BACTEROIDES THETAIOTAOMICRON GLYCOSIDE HYDROLASE 32 5-FOLD BETA-PROPELLER BETA-SANDWICHSUBSTRATE COMPLEX HYDROLASE
Ref.: FIRST CRYSTAL STRUCTURE OF AN ENDO-LEVANASE - THE B FROM A HUMAN GUT COMMENSAL BACTEROIDES THETAIOTAOMI SCI REP V. 9 8443 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:604;
A:605;
A:603;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
ZN A:602;
A:601;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
FRU FRU FRU FRU B:1;
 Valid;
 none;
 submit data
666.579 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6R3U 1.9 Å EC: 3.-.-.- ENDO-LEVANASE BT1760 MUTANT E221A FROM BACTEROIDES THETAIOTA COMPLEXED WITH LEVANTETRAOSE BACTEROIDES THETAIOTAOMICRON GLYCOSIDE HYDROLASE 32 5-FOLD BETA-PROPELLER BETA-SANDWICHSUBSTRATE COMPLEX HYDROLASE
Ref.: FIRST CRYSTAL STRUCTURE OF AN ENDO-LEVANASE - THE B FROM A HUMAN GUT COMMENSAL BACTEROIDES THETAIOTAOMI SCI REP V. 9 8443 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 6R3U - FRU FRU FRU FRU n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 6R3U - FRU FRU FRU FRU n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6R3U - FRU FRU FRU FRU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FRU FRU FRU FRU; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU FRU FRU 1 1
2 FRU FRU FRU FRU 1 1
3 GLC FRU FRU 0.5 0.921053
4 FRU 0.479167 0.888889
5 PSV 0.479167 0.888889
6 LFR 0.479167 0.888889
7 SF6 0.479167 0.888889
8 SF9 0.479167 0.888889
9 TA6 0.464286 0.755556
10 F6P 0.464286 0.755556
11 GLC GLC FRU 0.459459 0.897436
12 FRU FRU 0.446154 0.972973
13 Z9N GLC 0.409091 0.921053
Similar Ligands (3D)
Ligand no: 1; Ligand: FRU FRU FRU FRU; 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 : 6R3U; Ligand: FRU FRU FRU FRU; 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: 6r3u.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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