Receptor
PDB id Resolution Class Description Source Keywords
2WDA 2.3 Å EC: 4.2.2.1 THE X-RAY STRUCTURE OF THE STREPTOMYCES COELICOLOR A3 CHONDR LYASE IN COMPLEX WITH CHONDROITIN SULPHATE STREPTOMYCES VIOLACEORUBER LYASE HYALURONATE LYASE CHONDROITIN LYASE FAMILY 8
Ref.: CRYSTAL STRUCTURES OF A FAMILY 8 POLYSACCHARIDE LYA OPEN AND HIGHLY OCCLUDED SUBSTRATE-BINDING CLEFT CONFORMATIONS. PROTEINS V. 79 965 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMT A:1766;
A:1767;
A:1768;
A:1769;
A:1770;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
46.025 C H2 O2 C(=O)...
GOL A:1771;
A:1772;
A:1773;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
MG A:1783;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
PEG A:1774;
A:1775;
A:1776;
A:1777;
A:1778;
A:1779;
A:1780;
A:1781;
A:1782;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
106.12 C4 H10 O3 C(COC...
ASG 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
2WDA 2.3 Å EC: 4.2.2.1 THE X-RAY STRUCTURE OF THE STREPTOMYCES COELICOLOR A3 CHONDR LYASE IN COMPLEX WITH CHONDROITIN SULPHATE STREPTOMYCES VIOLACEORUBER LYASE HYALURONATE LYASE CHONDROITIN LYASE FAMILY 8
Ref.: CRYSTAL STRUCTURES OF A FAMILY 8 POLYSACCHARIDE LYA OPEN AND HIGHLY OCCLUDED SUBSTRATE-BINDING CLEFT CONFORMATIONS. PROTEINS V. 79 965 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2WDA - ASG GCD n/a n/a
2 2WCO - NAG GC4 n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2WDA - ASG GCD n/a n/a
2 2WCO - NAG GC4 n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2WDA - ASG GCD n/a n/a
2 2WCO - NAG GC4 n/a n/a
3 1RWH - ASG GCT ASG GAD n/a n/a
4 1RWF - ASG GCT ASG GAD n/a n/a
5 1RWC - NAG GAD n/a n/a
6 1RWG - ASG GCT ASG GAD n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASG GCD; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 ASG GCD 1 1
2 8EX GCD 0.7875 0.968254
3 ASG BDP ASG GCD 0.744681 0.953846
4 NAG GAD 0.692308 0.734375
5 NG6 GCD 0.635294 0.953125
6 ASG GC4 0.586207 0.9375
7 ASG IDR ASG IDR 0.515152 0.909091
8 GNS UAP 0.48913 0.880597
9 NDG GCD 0.483516 0.707692
10 MAG SGA FUC 0.474227 0.893939
11 NAG G6S 0.434783 0.907692
12 NAG FUC GAL 0.423913 0.636364
13 83Y BDP 83Y GCD 0.407407 0.71875
14 ASG 0.402439 0.875
Similar Ligands (3D)
Ligand no: 1; Ligand: ASG GCD; Similar ligands found: 3
No: Ligand Similarity coefficient
1 NGK GCD 0.9456
2 NGA GCD 0.9004
3 NAG GCD 0.8654
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WDA; Ligand: ASG 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: 2wda.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback