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;
 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 1579 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 1312 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 1130 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
Ligand no: 1; Ligand: A2G THR ALA PRO GLY GLY NAG SIA; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G THR ALA PRO GLY GLY NAG SIA 1 1
2 SIA GLY PRO ALA THR PRO ALA PRO A2G 0.524324 1
3 SIA GLY PRO ALA THR PRO ALA PRO NDG 0.524324 1
4 GAL TNR SIA 0.466667 0.797101
5 SIA NAG GAL GAL 0.460606 0.768116
6 GAL NAG SIA GAL 0.441176 0.768116
7 SIA GLY PRO ALA THR PRO ALA PRO 8B9 0.427136 1
8 SIA GAL NAG SIA 0.423529 0.768116
9 SIA NAG GAL 0.421687 0.797101
10 BGC GAL NAG SIA GAL 0.421348 0.768116
11 SIA GAL NAG GAL GLC 0.421348 0.768116
12 SIA GAL NAG GAL BGC 0.421348 0.768116
13 SIA GAL NGA 0.418182 0.753623
14 NAG GAL SIA 0.415663 0.768116
15 SIA GAL NAG 0.415663 0.768116
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 19 residues
No: Leader PDB Ligand Sequence Similarity
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