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Receptor
PDB id Resolution Class Description Source Keywords
1E2S 2.35 Å EC: 3.1.6.8 CRYSTAL STRUCTURE OF AN ARYLSULFATASE A MUTANT C69A HOMO SAPIENS HYDROLASE CEREBROSIDE-3-SULFATE HYDROLYSIS LYSOSOMAL ENZYMFORMYLGLYCINE
Ref.: CRYSTAL STRUCTURE OF AN ENZYME-SUBSTRATE COMPLEX PR INSIGHT INTO THE INTERACTION BETWEEN HUMAN ARYLSULF AND ITS SUBSTRATES DURING CATALYSIS. J. MOL. BIOL. V. 305 269 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CSN P:701;
Valid;
none;
submit data
235.171 C6 H5 N O7 S c1cc(...
MG P:600;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NDG NDG P:601;
Part of Protein;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1E2S 2.35 Å EC: 3.1.6.8 CRYSTAL STRUCTURE OF AN ARYLSULFATASE A MUTANT C69A HOMO SAPIENS HYDROLASE CEREBROSIDE-3-SULFATE HYDROLYSIS LYSOSOMAL ENZYMFORMYLGLYCINE
Ref.: CRYSTAL STRUCTURE OF AN ENZYME-SUBSTRATE COMPLEX PR INSIGHT INTO THE INTERACTION BETWEEN HUMAN ARYLSULF AND ITS SUBSTRATES DURING CATALYSIS. J. MOL. BIOL. V. 305 269 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1E2S - CSN C6 H5 N O7 S c1cc(c(cc1....
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 1E2S - CSN C6 H5 N O7 S c1cc(c(cc1....
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 1E2S - CSN C6 H5 N O7 S c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CSN; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CSN 1 1
2 4NC 0.44186 0.698113
3 DNF 0.413043 0.614035
4 4NS 0.413043 0.903846
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1E2S; Ligand: CSN; Similar sites found with APoc: 42
This union binding pocket(no: 1) in the query (biounit: 1e2s.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2WDA L42 1.02249
2 4BXF AKG 1.80995
3 5G61 FNY 1.84049
4 3T01 PPF 1.87354
5 3ZGE ASP 2.04499
6 5DRB 5FJ 2.06186
7 4LED XXR 2.23881
8 1XF1 CIT 2.24949
9 4OKZ 3E9 2.24949
10 5VEO AMP 2.40385
11 6F30 UD1 2.45399
12 2V58 LZJ 2.67261
13 4TO8 FLC 2.86299
14 3OBT SLB 2.86299
15 5JAQ NAI 2.86299
16 6BND OPE 2.90698
17 1IG3 VIB 3.06748
18 3WIR BGC 3.06748
19 1XAJ CRB 3.38983
20 1XAJ NAD 3.38983
21 2DW7 SRT 3.59897
22 1QM5 GLC GLC GLC PO4 SGC GLC 3.68098
23 3QIN P1Y 4
24 1YAA MAE 4.36893
25 4QAG F95 4.51128
26 5W6Y TRP 4.74684
27 1LT3 GAL BGC 4.85437
28 3ZXE PGZ 5.26316
29 5KL0 G16 5.31697
30 2P3B 3TL 6.06061
31 4CQB MLI 6.61939
32 1QPR PHT 6.69014
33 4DHL 0K7 6.80751
34 1SGJ OAA 7.39437
35 1EI6 PPF 7.88177
36 5EGH PC 8.85781
37 5OCM 9RH 9.27835
38 2GSU AMP 9.92366
39 2W5T GP9 15.3302
40 5A5W GUO 16.2055
41 6B0K 9RN G4S 9RN G4S 42.5721
42 6B0K G4S 9RN G4S 9RN G4S 42.5721
Pocket No.: 2; Query (leader) PDB : 1E2S; Ligand: CSN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1e2s.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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