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...
RAM GTR RAM GTR RAM GTR A:509;
Valid;
none;
submit data
981.789 n/a O=C([...
SO4 A:901;
A:902;
A:903;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
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 - RAM GTR RAM GTR RAM GTR 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 - RAM GTR RAM GTR RAM GTR 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 - RAM GTR RAM GTR RAM GTR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RAM GTR RAM GTR RAM GTR; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 RAM GTR RAM GTR RAM GTR 1 1
2 ADA ADA ADA 0.651515 0.9375
3 GTR 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 0.651515 0.9375
7 ADA ADA ADA ADA ADA M8C 0.611111 0.939394
8 ADA ADA ADA ADA ADA SHB 0.611111 0.939394
9 ADA ADA 0.590909 0.90625
10 ADA M8C M8C M8C ADA ADA 0.578947 0.969697
11 LGU MAV BEM 0.575342 0.857143
12 ADA ADA ADA ADA M8C M8C 0.571429 0.969697
13 ADA M8C M8C M8C M8C ADA 0.552632 0.969697
14 M8C ADA ADA ADA ADA M8C 0.545455 0.969697
15 M8C ADA ADA ADA M8C M8C 0.531646 0.969697
16 BEM MAV LGU MAV 0.5125 0.882353
17 MAW LGU BEM BEM 0.5125 0.882353
18 MAW MAV GCU 0.5125 0.882353
19 MAW BEM BEM BEM 0.5125 0.882353
20 TGU 0.479452 0.875
21 AD0 0.464789 0.875
22 GLC GAL FUC 0.419753 0.692308
23 LAT FUC 0.419753 0.692308
24 FUC GAL GLC 0.419753 0.692308
25 FUC LAT 0.419753 0.692308
26 BGC GAL FUC 0.419753 0.692308
27 BEM MAV 0.4 0.852941
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NJV; Ligand: RAM GTR RAM GTR RAM GTR; Similar sites found: 4
This union binding pocket(no: 1) in the query (biounit: 3njv.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LJU IP9 0.02796 0.4082 2.84974
2 1WB4 SXX 0.0315 0.40124 3.367
3 2AGC DAO 0.02589 0.40056 6.17284
4 5H9Q TD2 0.03999 0.40804 13.5484
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