Receptor
PDB id Resolution Class Description Source Keywords
3NJV 2.4 Å EC: 4.2.2.10 RHAMNOGALACTURONAN LYASE FROM ASPERGILLUS ACULEATUS K150A SU COMPLEX ASPERGILLUS ACULEATUS CARBOHYDRATE ACTIVE ENZYME LYASE PECTIN DEGRADATION POLYSLYASE FAMILY 4
Ref.: STRUCTURAL AND BIOCHEMICAL STUDIES ELUCIDATE THE ME OF RHAMNOGALACTURONAN LYASE FROM ASPERGILLUS ACULEA J.MOL.BIOL. V. 404 100 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:800;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
SO4 A:901;
A:902;
A:903;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
GTR RAM GTR RAM GTR RAM B:1;
 Valid;
 none;
 submit data
981.789 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NJV 2.4 Å EC: 4.2.2.10 RHAMNOGALACTURONAN LYASE FROM ASPERGILLUS ACULEATUS K150A SU COMPLEX ASPERGILLUS ACULEATUS CARBOHYDRATE ACTIVE ENZYME LYASE PECTIN DEGRADATION POLYSLYASE FAMILY 4
Ref.: STRUCTURAL AND BIOCHEMICAL STUDIES ELUCIDATE THE ME OF RHAMNOGALACTURONAN LYASE FROM ASPERGILLUS ACULEA J.MOL.BIOL. V. 404 100 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NJV - GTR RAM GTR RAM GTR RAM 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 1 families.
1 3NJV - GTR RAM GTR RAM GTR RAM 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 1 families.
1 3NJV - GTR RAM GTR RAM GTR RAM n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GTR RAM GTR RAM GTR RAM; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 GTR RAM GTR RAM GTR RAM 1 1
2 RAM ADA RAM 0.676471 0.90625
3 ADA ADA ADA ADA ADA 0.651515 0.9375
4 ADA ADA ADA ADA ADA ADA 0.651515 0.9375
5 ADA ADA ADA ADA 0.651515 0.9375
6 ADA ADA ADA ADA ADA M8C 0.611111 0.939394
7 ADA ADA 0.590909 0.90625
8 ADA M8C M8C M8C ADA ADA 0.578947 0.969697
9 LGU MAV BEM 0.575342 0.857143
10 ADA ADA ADA ADA M8C M8C 0.571429 0.969697
11 GTR RAM AQA 0.5625 0.882353
12 ADA M8C M8C M8C M8C ADA 0.552632 0.969697
13 M8C ADA ADA ADA ADA M8C 0.545455 0.969697
14 M8C ADA ADA ADA M8C M8C 0.531646 0.969697
15 GCU MAV MAW 0.5125 0.882353
16 MAV LGU MAV BEM 0.5125 0.882353
17 ADA AQA 0.493151 0.828571
18 ADA ADA ADA 0.4375 0.810811
19 GLC GAL BGC FUC 0.419753 0.692308
20 BGC GAL FUC 0.419753 0.692308
21 LGU MAW 0.4 0.852941
Similar Ligands (3D)
Ligand no: 1; Ligand: GTR RAM GTR RAM GTR 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 : 3NJV; Ligand: GTR RAM GTR RAM GTR 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: 3njv.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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