Receptor
PDB id Resolution Class Description Source Keywords
5OCQ 1.7 Å EC: 3.2.1.83 CRYSTAL STRUCTURE OF THE COMPLEX OF THE KAPPA-CARRAGEENASE F PSEUDOALTEROMONAS CARRAGEENOVORA WITH AN OLIGOTETRASACCHARIK APPA-CARRAGEENAN PSEUDOALTEROMONAS CARRAGEENOVORA GLYCOSIDE HYDROLASE KAPPA-CARRAGEENASE BETA JELLYROLL MARCARBOHYDRASE HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO MARINE CARBOHYDRATE DEGRAD FAMILY GH16 KAPPA-CARRAGEENASES. J. BIOL. CHEM. V. 292 19919 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:405;
B:405;
Valid;
Valid;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
9RN G4S 9RN G4S B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
788.659 n/a S(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OCQ 1.7 Å EC: 3.2.1.83 CRYSTAL STRUCTURE OF THE COMPLEX OF THE KAPPA-CARRAGEENASE F PSEUDOALTEROMONAS CARRAGEENOVORA WITH AN OLIGOTETRASACCHARIK APPA-CARRAGEENAN PSEUDOALTEROMONAS CARRAGEENOVORA GLYCOSIDE HYDROLASE KAPPA-CARRAGEENASE BETA JELLYROLL MARCARBOHYDRASE HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO MARINE CARBOHYDRATE DEGRAD FAMILY GH16 KAPPA-CARRAGEENASES. J. BIOL. CHEM. V. 292 19919 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5OCQ - 9RN G4S 9RN G4S 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 1 families.
1 5OCQ - 9RN G4S 9RN G4S n/a n/a
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 5OCQ - 9RN G4S 9RN G4S n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Ligand no: 2; Ligand: 9RN G4S 9RN G4S; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 9RN G4S 9RN G4S 1 1
2 G4S 9RN G4S 9RN G4S 0.853659 0.981132
3 9RN G4S DGS G4S 0.804598 0.981132
4 G4S 9RN G4S DGS G4S 9RN 0.601942 0.945455
5 DGS G4S DGS G4S 0.544554 0.962963
6 DGS G4S 0.442105 0.981132
7 GAL AAL GAL AAL GAL AAL 0.43 0.648148
8 AAL GAL AAL GLA 0.43 0.648148
9 AAL GAL AAL GAL 0.43 0.648148
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OCQ; Ligand: CIT; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 5ocq.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 6O5U KAN 2.80702
2 5DY5 5GR 4.21053
3 5DY5 5GR 4.21053
Pocket No.: 2; Query (leader) PDB : 5OCQ; Ligand: CIT; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 5ocq.bio2) has 4 residues
No: Leader PDB Ligand Sequence Similarity
1 4OAS 2SW None
Pocket No.: 3; Query (leader) PDB : 5OCQ; Ligand: 9RN G4S 9RN G4S; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5ocq.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback