Receptor
PDB id Resolution Class Description Source Keywords
6S20 1.98 Å EC: 3.1.6.- METABOLISM OF MULTIPLE GLYCOSAMINOGLYCANS BY BACTEROIDES THETAIOTAOMICRON IS ORCHESTRATED BY A VERSATILE CORE GENETI( BT33336S-SULF) BACTEROIDES THETAIOTAOMICRON (STRAIN A/ DSM 2079 / NCTC 10582 / E50 / VPI-5482) GUT MICROBIOTA GLYCOSAMINOGLYCAN GLYCOBIOLOGY CAZYMES HY
Ref.: METABOLISM OF MULTIPLE GLYCOSAMINOGLYCANS BY BACTER THETAIOTAOMICRON IS ORCHESTRATED BY A VERSATILE COR LOCUS. NAT COMMUN V. 11 646 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PGE C:602;
 Invalid;
 none;
 submit data
150.173 C6 H14 O4 C(COC...
NG6 C:601;
 Valid;
 none;
 submit data
301.271 C8 H15 N O9 S CC(=O...
CA C:603;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6S20 1.98 Å EC: 3.1.6.- METABOLISM OF MULTIPLE GLYCOSAMINOGLYCANS BY BACTEROIDES THETAIOTAOMICRON IS ORCHESTRATED BY A VERSATILE CORE GENETI( BT33336S-SULF) BACTEROIDES THETAIOTAOMICRON (STRAIN A/ DSM 2079 / NCTC 10582 / E50 / VPI-5482) GUT MICROBIOTA GLYCOSAMINOGLYCAN GLYCOBIOLOGY CAZYMES HY
Ref.: METABOLISM OF MULTIPLE GLYCOSAMINOGLYCANS BY BACTER THETAIOTAOMICRON IS ORCHESTRATED BY A VERSATILE COR LOCUS. NAT COMMUN V. 11 646 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6S20 - NG6 C8 H15 N O9 S CC(=O)N[C@....
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 6S20 - NG6 C8 H15 N O9 S CC(=O)N[C@....
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 6S20 - NG6 C8 H15 N O9 S CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NG6; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 NG6 1 1
2 NGS 1 1
3 BMX 0.611111 0.803279
4 4QY 0.611111 0.803279
5 16G 0.611111 0.803279
6 SGN 0.603774 0.870968
7 BM3 0.54902 0.661017
8 HSQ 0.54902 0.661017
9 NGA 0.54902 0.661017
10 A2G 0.54902 0.661017
11 NDG 0.54902 0.661017
12 NAG 0.54902 0.661017
13 3LJ 0.5 0.898305
14 ASG 0.483333 0.966102
15 BMX BMX BMX BM3 0.44 0.716418
16 NAG G6S 0.432432 0.904762
Similar Ligands (3D)
Ligand no: 1; Ligand: NG6; Similar ligands found: 17
No: Ligand Similarity coefficient
1 2IP 0.9111
2 EZL 0.9012
3 CG 0.8853
4 EPE 0.8791
5 AQN 0.8711
6 BIH 0.8701
7 BGP 0.8699
8 PMM 0.8698
9 1V4 0.8664
10 Z25 0.8655
11 6DH 0.8650
12 NIF 0.8649
13 1BW 0.8628
14 3JL 0.8618
15 J2P 0.8611
16 1V3 0.8586
17 PTR 0.8553
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6S20; Ligand: NG6; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 6s20.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1E2S CSN 46.3617
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