Receptor
PDB id Resolution Class Description Source Keywords
5MWK 2 Å EC: 3.-.-.- GLYCOSIDE HYDROLASE BT_0986 BACTEROIDES THETAIOTAOMICRON GLYCOSIDE HYDROLASE RHAMNOSIDASE PLANT PECTIN CAZY FAMILYHYDROLASE
Ref.: COMPLEX PECTIN METABOLISM BY GUT BACTERIA REVEALS N CATALYTIC FUNCTIONS. NATURE V. 544 65 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BR A:1209;
A:1210;
Invalid;
Invalid;
none;
none;
submit data
79.904 Br [Br-]
CA A:1208;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
IOD A:1207;
Invalid;
none;
submit data
126.904 I [I-]
RAM 8OQ GAL 8PK ARA RAM B:1;
Valid;
Atoms found LESS than expected: % Diff = 0.045;
submit data
923.841 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MWK 2 Å EC: 3.-.-.- GLYCOSIDE HYDROLASE BT_0986 BACTEROIDES THETAIOTAOMICRON GLYCOSIDE HYDROLASE RHAMNOSIDASE PLANT PECTIN CAZY FAMILYHYDROLASE
Ref.: COMPLEX PECTIN METABOLISM BY GUT BACTERIA REVEALS N CATALYTIC FUNCTIONS. NATURE V. 544 65 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 5MQM - RPQ C6 H10 N4 O3 C[C@H]1[C@....
2 5MWK - RAM 8OQ GAL 8PK ARA RAM n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 5MQM - RPQ C6 H10 N4 O3 C[C@H]1[C@....
2 5MWK - RAM 8OQ GAL 8PK ARA RAM n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 5MQM - RPQ C6 H10 N4 O3 C[C@H]1[C@....
2 5MWK - RAM 8OQ GAL 8PK ARA RAM n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RAM 8OQ GAL 8PK ARA RAM; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 RAM 8OQ GAL 8PK ARA RAM 1 1
2 RAM 8OQ GAL 8PK ARA RAM RAM FUB 0.72093 1
3 XXM RAM 8OQ GAL 8PK ARA RAM RAM 0.554795 1
Similar Ligands (3D)
Ligand no: 1; Ligand: RAM 8OQ GAL 8PK ARA RAM; 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 : 5MWK; Ligand: RAM 8OQ GAL 8PK ARA RAM; 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: 5mwk.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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