Receptor
PDB id Resolution Class Description Source Keywords
5KDS 1.6 Å NON-ENZYME: OTHER ZMPB METALLOPEPTIDASE IN COMPLEX WITH AN O-GLYCOPEPTIDE (A2, SIALYLATED CORE-3 PENTAPEPTIDE). BOS TAURUS O-GLYCOPEPTIDASE PF13402/M60-LIKE BOVINE SUBMAXILLARY MUCIGLYCAN HYDROLASE
Ref.: RECOGNITION OF PROTEIN-LINKED GLYCANS AS A DETERMIN PEPTIDASE ACTIVITY. PROC. NATL. ACAD. SCI. V. 114 E679 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1106;
A:1108;
A:1105;
A:1107;
A:1104;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
TLA A:1102;
 Invalid;
 none;
 submit data
150.087 C4 H6 O6 [C@@H...
A2G THR ALA PRO GLY GLY NAG SIA B:1;
 Valid;
 Atoms found LESS than expected: % Diff = 0.013;
 submit data
1083.06 n/a O=C(N...
EPE A:1103;
 Invalid;
 none;
 submit data
238.305 C8 H18 N2 O4 S C1CN(...
ZN A:1101;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KDS 1.6 Å NON-ENZYME: OTHER ZMPB METALLOPEPTIDASE IN COMPLEX WITH AN O-GLYCOPEPTIDE (A2, SIALYLATED CORE-3 PENTAPEPTIDE). BOS TAURUS O-GLYCOPEPTIDASE PF13402/M60-LIKE BOVINE SUBMAXILLARY MUCIGLYCAN HYDROLASE
Ref.: RECOGNITION OF PROTEIN-LINKED GLYCANS AS A DETERMIN PEPTIDASE ACTIVITY. PROC. NATL. ACAD. SCI. V. 114 E679 2017 U.S.A.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5KDS - A2G THR ALA PRO GLY GLY NAG SIA n/a n/a
2 5KDU - A2G GAL SIA 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 1331 families.
1 5KDS - A2G THR ALA PRO GLY GLY NAG SIA n/a n/a
2 5KDU - A2G GAL SIA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5KDS - A2G THR ALA PRO GLY GLY NAG SIA n/a n/a
2 5KDU - A2G GAL SIA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A2G THR ALA PRO GLY GLY NAG SIA; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G THR ALA PRO GLY GLY NAG SIA 1 1
2 GLY PRO ALA THR PRO ALA PRO A2G SIA 0.524324 1
3 GAL NAG GAL SIA 0.460606 0.768116
4 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.430693 0.710526
5 GLY PRO ALA THR PRO ALA PRO 8B9 SIA 0.427136 1
6 NAG GAL NAG GAL SIA 0.423729 0.768116
7 NAG GAL SIA SIA 0.423529 0.768116
8 C4W NAG FUC BMA MAN NAG GAL SIA 0.42268 0.710526
9 BGC GAL NAG GAL SIA 0.421348 0.768116
10 GAL SIA NGA 0.418182 0.753623
11 BGC GAL SIA 0.418182 0.73913
Similar Ligands (3D)
Ligand no: 1; Ligand: A2G THR ALA PRO GLY GLY NAG SIA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KDS; Ligand: A2G THR ALA PRO GLY GLY NAG SIA; 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: 5kds.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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