Receptor
PDB id Resolution Class Description Source Keywords
3ANK 2.02 Å EC: 3.2.1.- CRYSTAL STRUCTURE OF UNSATURATED GLUCURONYL HYDROLASE MUTANT FROM STREPTCOCCUS AGALACTIAE COMPLEXED WITH DGLCA-GALNAC6S STREPTOCOCCUS AGALACTIAE ALPHA6/ALPHA6-BARREL HYDROLASE
Ref.: STRUCTURAL DETERMINANTS IN STREPTOCOCCAL UNSATURATE GLUCURONYL HYDROLASE FOR RECOGNITION OF GLYCOSAMINO SULFATE GROUPS J.BIOL.CHEM. V. 286 6262 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:3318;
A:401;
A:402;
A:403;
A:404;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NG6 GCD B:1;
Valid;
none;
submit data
457.365 n/a S(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ANK 2.02 Å EC: 3.2.1.- CRYSTAL STRUCTURE OF UNSATURATED GLUCURONYL HYDROLASE MUTANT FROM STREPTCOCCUS AGALACTIAE COMPLEXED WITH DGLCA-GALNAC6S STREPTOCOCCUS AGALACTIAE ALPHA6/ALPHA6-BARREL HYDROLASE
Ref.: STRUCTURAL DETERMINANTS IN STREPTOCOCCAL UNSATURATE GLUCURONYL HYDROLASE FOR RECOGNITION OF GLYCOSAMINO SULFATE GROUPS J.BIOL.CHEM. V. 286 6262 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 3ANK - NG6 GCD 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 17 families.
1 3ANK - NG6 GCD n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2FV0 - BGC RAM BGC GAD n/a n/a
2 2AHG - NGA GCD n/a n/a
3 2FV1 - NDG GAD n/a n/a
4 3ANK - NG6 GCD n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NG6 GCD; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 NG6 GCD 1 1
2 NAG GAD 0.746667 0.75
3 8EX GCD 0.710843 0.953125
4 ASG GCD 0.635294 0.953125
5 ASG BDP ASG GCD 0.495413 0.910448
6 NDG GCD 0.44086 0.69697
7 NAG G6S 0.43956 0.923077
8 NG6 BDP ASG GCD 0.423729 0.897059
9 A2G GAL NAG 0.421053 0.656716
10 A2G GAL 0.416667 0.661538
11 NAG BDP 0.404494 0.71875
Similar Ligands (3D)
Ligand no: 1; Ligand: NG6 GCD; Similar ligands found: 3
No: Ligand Similarity coefficient
1 NGA GCD 0.8950
2 NAG GCD 0.8695
3 NGA GAL 0.8531
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ANK; Ligand: NG6 GCD; 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: 3ank.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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